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N-(2-Amino-4-chloro-6-(((1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)formamide

HCID 9795791
새 노트새 반응견적 요청하기인쇄 미리보기
기본 정보이름 및 식별자물성관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
171887-04-0
표준 SMILES
Nc1nc(Cl)c(NC=O)c(N[C@H]2C=C[C@@H](CO)C2)n1
InChIKey
OSFRHUVOPNVUGL-RQJHMYQMSA-N
분자식
C11H14ClN5O2
평균 분자량
283.71 g/mol
단동위원소 질량
283.0836024

이름 및 식별자

우선 이름
N-(2-Amino-4-chloro-6-(((1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)formamide
IUPAC
N-[2-amino-4-chloro-6-[[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrimidin-5-yl]formamide
영어명
N-[2-Amino-4-chloro-6-[[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]amino]-5-pyrimidinyl]formamide
분자식
C11H14ClN5O2
분자량
283.71

이름 및 동의어

171887-04-0N-(2-Amino-4-chloro-6-(((1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)formamideN-(2-Amino-4-chloro-6-(((1R,4S)-4-(hydroxymethyl)-cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)formamide(1R-cis)-N-[2-amino-4-chloro-6-[[4-(hydroxymethyl)-2-cyclopenten-1-yl]amino]-5-pyrimidinyl]-formamidN-[2-amino-4-chloro-6-[[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]pyrimidin-5-yl]formamide(1R-cis)-N-[2-amino-4-chloro-6-[[4-(hydroxymethyl)-2-cyclopenten-1-yl]amino]-5-pyrimidinyl]-formamideOSFRHUVOPNVUGL-RQJHMYQMSA-NSCHEMBL331086AKOS016010720AC-27025(1 S,4R)-4-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol(1S 4R)-4-[(2-Amino-6chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol
이름 더 보기
Abacavir intermediate a4(1S,4R)-4-[(2-Amino-6-chloro-5-formamide-4-pyrimidinyl)amino...(1S,4R)-4-[(2-Amino-6-chloro-5-formamide-4-pyrimidinyl)amino]-2-cyclopentene-1-methanolN-[2-Amino-4-chloro-6-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-enylamino]pyrimin-5-yl]formamideN-(2-Amino-4-chloro-6-((1R,4S)-4-(hydroxymethyl)cyclopent-2-enylamino)pyrimidin-5-yl)formamideN-(2-Amino-4-chloro-6-(((1R,4S)-4-(hydroxymethyl)-cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)forN-(2-Amino-4-chloro-6-(((1R,4S)-4-(hydroxymethyl)-cyclopent-2-en-1-yl)amino)pyrimidin-5-yl)formam

데이터베이스 식별자

CAS
171887-04-0
PubChem CID
9795791

물성

구조 계산 물성

XLogP
0.5
극성 표면적
113 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
19
형식 전하
0
복잡도
343

물리화학적 성질

끓는 점
675 · 675.0±65.0 °C(Predicted)
밀도
1.55 · 1.550
저장 조건
2 · 2-8°C
산도 계수 (pKa)
11.47 · 11.47±0.70(Predicted)

공급사

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공개 문의

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관련 반응

17건
반응 기록 만들기
HRID 369504 반응식
HRID 369504생성물로uspto-grants-2000_10
HRID 985140 반응식
HRID 985140생성물로uspto-grants-2005_03
HRID 985141 반응식
HRID 985141반응물로uspto-grants-2005_03
HRID 1069800 반응식
HRID 1069800생성물로uspto-grants-2001_06
HRID 1267588 반응식
HRID 1267588생성물로uspto-grants-2003_04
HRID 1267589 반응식
HRID 1267589반응물로uspto-grants-2003_04
HRID 1268245 반응식
HRID 1268245반응물로uspto-grants-2003_04
HRID 1274431 반응식
HRID 1274431생성물로uspto-grants-2000_12
1 / 3 페이지

화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성관련 반응화합물 노트
N-[2-Amino-4-chloro-6-[[(1R,4S)-4-(hydroxymethyl)-2-cyclopenten-1-yl]amino]-5-pyrimidinyl]formamide
(1S, 4R)-4[(-2-Amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol(1S,4R)-4-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2- cyclopentene-1-methanol(1S,4R)-4-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol(1S,4R)-4-[(2-Amino-6chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol(1S,4R)-4-[(2amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-2-cyclopentene-1-methanol(1R, 4 S)-1-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl) amino]-4-(hydroxymethyl)-2-cylopentene(1R,4S)-1-[(2-amino-6-chloro-5 formamido-4-pyrimidinyl)amino]-4-(hydroxymethyl)-2-cyclopentene(1R,4S)-1-[(2-amino-6-chloro-5-formamido-4-pyrimidinyl)amino]-4-(hydroxymethyl)-2-cyclopentene