기본 정보
- CAS
522652-30-8- 표준 SMILES
Cc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1- InChIKey
DXEGPDODFSNEFI-UHFFFAOYSA-N- 분자식
- C17H19N7S
- 평균 분자량
- 353.4 g/mol
이름 및 식별자
- 우선 이름
- 6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
- 영어명
- 6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
- 분자식
- C17H19N7S
- 분자량
- 353.44
이름 및 동의어
6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine522652-30-86-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamineMLS000528927CHEMBL1580364REGID_for_CID_1385037HMS2319G04STK132701STK846975AKOS000626010AKOS005627159CCG-114977
이름 더 보기
1,3,5-Triazine-2,4-diamine, 6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methylphenyl)-
SMR000121402ST50106016AJ-292/416861066-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-N2-(p-tolyl)-1,3,5-triazine-2,4-diamine6-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-N-p-tolyl-[1,3,5]triazine-2,4-diamine(4Z)-6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-[(4-methylphenyl)imino]-4,5-dihydro-1,3,5-triazin-2-amine{4-amino-6-[(4,6-dimethylpyrimidin-2-ylthio)methyl](1,3,5-triazin-2-yl)}(4-met hylphenyl)amine6-{[(4,6-DIMETHYLPYRIMIDIN-2-YL)SULFANYL]METHYL}-N2-(4-METHYLPHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
데이터베이스 식별자
- CAS
522652-30-8- ChEMBL
CHEMBL1580364
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 394
화학 및 산업
공급사4 곳
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