3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl}-4-methyl-N-(1-methylethyl)benzamide (HCID 59208131)

기본 정보

표준 SMILES: Cc1ccc(C(=O)NC(C)C)cc1-c1nc(NCc2ncc[nH]2)nc2c1CNC(=O)N2c1c(F)cccc1F
InChIKey: MLIGZMWWYSHJQY-UHFFFAOYSA-N
분자식: C27H26F2N8O2
평균 분자량: 532.5 g/mol

이름 및 식별자

우선 이름: 3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl}-4-methyl-N-(1-methylethyl)benzamide
IUPAC: 3-[8-(2,6-difluorophenyl)-2-(1H-imidazol-2-ylmethylamino)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-propan-2-ylbenzamide

이름 및 동의어

SCHEMBL3299778MLIGZMWWYSHJQY-UHFFFAOYSA-N3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]-pyrimidin-4-yl}-4-methyl-N-(1-methylethyl)benzamide3-{8-(2,6-difluorophenyl)-2-[(1H-imidazol-2-ylmethyl)amino]-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl}-4-methyl-N-(1-methylethyl)benzamide

데이터베이스 식별자

PubChem CID: 59208131

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 128 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 7
무거운 원자 수: 39
형식 전하: 0
복잡도: 858

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