기본 정보
- CAS
55687-91-7- 표준 SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1C(C)(C)O- InChIKey
ZEHBWBDRLQCJBQ-UHFFFAOYSA-N- 분자식
- C16H22N4O3
- 평균 분자량
- 318.37 g/mol
- 단동위원소 질량
- 318.16919058
이름 및 식별자
- 우선 이름
- Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-
- IUPAC
- 2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl]propan-2-ol
- 현지명
- 4-[(2,4-디아미노피리미딘-5-일)메틸]-2,6-디메톡시-α,α-디메틸벤젠메탄올
- 영어명
- 4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanol
- 분자식
- C16H22N4O3
- 분자량
- 318.37
이름 및 동의어
55687-91-7Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-DTXSID30204216RefChem:1079432DTXCID30126707DHFR inhibitorBRN 07643512,4-Pyrimidinediamine, 5-(4-(1-hydroxy-1-methylethyl)-3,5-dimethoxybenzyl)-2-Propanol, 2-(4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxyphenyl)-SCHEMBL9160840ZEHBWBDRLQCJBQ-UHFFFAOYSA-N2-{4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenyl}propan-2-ol
이름 더 보기
4-[(2,4-디아미노피리미딘-5-일)메틸]-2,6-디메톡시-α,α-디메틸벤젠메탄올4-[(2,4-Diamino-5-pyrimidinyl)methyl]-2,6-dimethoxy-α,α-dimethylbenzyl alcohol4-[(2,4-Diaminopyrimidine-5-yl)methyl]-2,6-dimethoxy-α,α-dimethylbenzenemethanolBenzenemethanol, 4-[(2,4-diamino-5-pyrimidinyl)methyl]-2,6-dimethoxy-α,α-dimethyl-
2,4-Diamino-5-[3,5-dimethoxy-4-(2-hydroxyprop-2-yl)benzyl]pyrimidine2-[4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenyl]propan-2-ol4-[(2,4-diamino-5-pyrimidinyl)-methyl]-2,6-dimethoxy-alpha,alpha-dimethyl-benzyl alcohol
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 368
실험 및 물리화학적 성질
LogP1.3
관련 반응
2건
화합물 노트
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