4-아미노-5-(포르마미도메틸)-2-메틸피리미딘

N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamide

HCID 597195

기본 정보

CAS: 1886-34-6
표준 SMILES: Cc1ncc(CNC=O)c(N)n1
InChIKey: PVWNFAGYFUUDRC-UHFFFAOYSA-N
분자식: C7H10N4O
평균 분자량: 166.18 g/mol
단동위원소 질량: 166.08546094

개요

4-amino-5-formamidomethyl-2-methylpyrimidine is a member of the class of aminopyrimidine with the amino group at position 4 with additional methyl and formamidomethyl substituents at positions 2 and 5 respectively. It has a role as a bacterial xenobiotic metabolite. It is a member of formamides and an aminopyrimidine.

이름 및 식별자

우선 이름: N-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamide
IUPAC: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide
현지명: 4-아미노-5-(포르마미도메틸)-2-메틸피리미딘
영어명: 4-AMino-5-(forMaMidoMethyl)-2-MethylpyriMidine
분자식: C7H10N4O
분자량: 166.18

이름 및 동의어

1886-34-64-AMino-5-(forMaMidoMethyl)-2-MethylpyriMidine2-Methyl-4-amino-5-(formylaminomethyl)pyrimidineJJO1TS4A8Y4-Amino-5-((formylamino)methyl)-2-methylpyrimidineN-((4-Amino-2-methyl-5-pyrimidinyl)methyl)formamideN-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formamideDTXSID201224867Formamide, N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-RefChem:1090691DTXCID601656133606-149-3

이름 더 보기

4-아미노-5-(포르마미도메틸)-2-메틸피리미딘synthesis-003synthesis-1-003Thiamine Impurity 7Thiamine Impurity 9Vitamin B1 Impurity 15Thiamine Nitrate Impurity 9Thiamine /Vitamin B1 Impurity 18Thiamine hydrochloride Impurity 1Cocarboxylase Tetrahydrate Impurity 2

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamideFormylaminopyrimidineN-((4-Amino-2-methylpyrimidin-5-yl)methyl)formamideN-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine4-Amino-5-formamidomethyl-2-methylpyrimidine2-methyl-4-amino-5-formylaminomethylpyrimidineThiamine Impurity 12N-formyl Grewe-diamine

데이터베이스 식별자

CAS: 1886-34-6
PubChem CID: 597195
DTXSID: DTXSID201224867
ChEBI: CHEBI:85895
UNII: JJO1TS4A8Y
EC Number: 606-149-3
Nikkaji: J2.599.150H

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 80.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 152

물리화학적 성질

녹는점: 227 · 227-228 °C
끓는 점: 452 · 452.0±35.0 °C(Predicted)
밀도: 1.245 · 1.245±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
용해도: DMSO(약간), 메탄올(매우 소량, 초음파 처리)에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 14.77 · 14.77±0.23(Predicted)
색상: 황백색에서 연한 노란색
안정성: 공기 민감성, 빛 민감성

화학 및 산업

응용 분야

용도4-Amino-5-(formamidomethyl)-2-methylpyrimidine is a metabolite of thiamine (T344185), a essential nutrient required for carbohydrate metabolism; also involved in nerve function.

공급사44 곳

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

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