3-[8-(2,6-difluorophenyl)-2-({3-[(1,1-dimethylethyl)amino]propyl]amino)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl}-4-methyl-N-propylbenzamide (HCID 59208105)

기본 정보

표준 SMILES: CCCNC(=O)c1ccc(C)c(-c2nc(NCCCNC(C)(C)C)nc3c2CNC(=O)N3c2c(F)cccc2F)c1
InChIKey: WFLDHZKEMUPPQU-UHFFFAOYSA-N
분자식: C30H37F2N7O2
평균 분자량: 565.7 g/mol
단동위원소 질량: 565.29767977

이름 및 식별자

우선 이름: 3-[8-(2,6-difluorophenyl)-2-({3-[(1,1-dimethylethyl)amino]propyl]amino)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl}-4-methyl-N-propylbenzamide
IUPAC: 3-[2-[3-(tert-butylamino)propylamino]-8-(2,6-difluorophenyl)-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-propylbenzamide

이름 및 동의어

3-[8-(2,6-difluorophenyl)-2-({3-[(1,1-dimethylethyl)amino]propyl]amino)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl}-4-methyl-N-propylbenzamide3-[8-(2,6-difluorophenyl)-2-({3-[(1,1-dimethylethyl)amino]propyl}amino)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-propylbenzamideSCHEMBL3300674WFLDHZKEMUPPQU-UHFFFAOYSA-N

데이터베이스 식별자

PubChem CID: 59208105

물성

구조 계산 물성

XLogP: 5
극성 표면적: 111 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 8
회전 가능 결합 수: 11
무거운 원자 수: 41
형식 전하: 0
복잡도: 864

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