(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol (HCID 9842276)

기본 정보

표준 SMILES: CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
InChIKey: SCACHXWSWJBIHG-HIFRSBDPSA-N
분자식: C19H27N7O
평균 분자량: 369.5 g/mol
단동위원소 질량: 369.22770851

이름 및 식별자

우선 이름: (2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
IUPAC: (2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol

이름 및 동의어

660822-23-1CCT068127(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-olpurin-2-yl)amino)pentan-2-olCHEMBL1922219CCT68127(2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol(2R,3S)-3-((9-Isopropyl-6-((pyridin-3-ylmethyl)amino)-9H-purin-2-yl)amino)pentan-2-olorb1740567SCHEMBL3336119SCHEMBL29829223(2R,3S)-3-((9-Isopropyl-6-((pyridin-3-ylmethyl)amino)-9H- purin-2-yl)amino)pentan-2-ol

이름 더 보기

SCACHXWSWJBIHG-HIFRSBDPSA-N(2R,3S)-3-{[9-(propan-2-yl)-6-{[(pyridin-3-yl)methyl]amino}-9H-purin-2-yl]amino}pentan-2-olEX-A9503BDBM50358213HY-123826T68913(2R,3S)-3-((9-Isopropyl-6-((pyridin-3-ylmethyl)amino)-9H-(2R3S)-3-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-pentan-2-ol

데이터베이스 식별자

PubChem CID: 9842276
ChEMBL: CHEMBL1922219

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 101 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 27
형식 전하: 0
복잡도: 452

화합물 노트

불러오는 중…