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

HCID 11950448
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기본 정보

표준 SMILES
Cc1ccc(C(=O)NC(C)C)cc1-c1nc(NCCNC(C)C)nc2c1CNC(=O)N2c1c(F)cccc1F
InChIKey
BMFXQDDXUVRFQK-UHFFFAOYSA-N
분자식
C28H33F2N7O2
평균 분자량
537.6 g/mol
단동위원소 질량
537.26637965

이름 및 식별자

우선 이름
3-[8-(2,6-difluorophenyl)-2-({2-[(1-methylethyl)amino]ethyl]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)-7-oxo-2-[2-(propan-2-ylamino)ethylamino]-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-propan-2-ylbenzamide

이름 및 동의어

3-[8-(2,6-difluorophenyl)-2-({2-[(1-methylethyl)amino]ethyl]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-({2-[(1-methylethyl)amino]ethyl}amino)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(1-methylethyl)benzamideSCHEMBL3301983BMFXQDDXUVRFQK-UHFFFAOYSA-N3-[8-(2,6-difluorophenyl)-2-({2-[(1-methylethyl)amino]ethyl}amino)-7-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-N-(1-methyl ethyl)benzamide

데이터베이스 식별자

PubChem CID
11950448

물성

구조 계산 물성

XLogP
3.8
극성 표면적
111 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
9
무거운 원자 수
39

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