기본 정보
- CAS
5593-78-2- 표준 SMILES
Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1- InChIKey
PZWYDZMWPANLMB-UHFFFAOYSA-N- 분자식
- C14H19N4O+
- 평균 분자량
- 259.33 g/mol
- 단동위원소 질량
- 259.15588624
개요
Pyrithiamine is a pyridinium ion that is 3-(2-hydroxyethyl)-2-methylpyridine substituted at position 1 by a (4-amino-2-methylpyrimidin-5-yl)methyl group.
이름 및 식별자
- 우선 이름
- 1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium
- IUPAC
- 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol
이름 및 동의어
Pyrithiamine basepyrithiamine ionpyrithiamine cation5593-78-2UNII-C8K5X0362HC8K5X0362H1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridinium2-Picolinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-1-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methylpyridinium ionPyridinium, 1-((4-amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-1-(4-Amino-2-methylpyrimid-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium1-((4-Amino-2-methylpyrimidin-5-yl)methyl)-3-(2-hydroxyethyl)-2-methylpyridin-1-ium
이름 더 보기
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-hydroxyethyl)-2-methylpyridin-1-iumCHEMBL1229798DTXSID20204528C21111Q271049961-(4-amino-2-methylpyrimid-5-ylmethyl)-3-(beta-hydroxyethyl)-2-methylpyridinium
데이터베이스 식별자
- CAS
5593-78-2
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 75.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 1
- 복잡도
- 276
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