기본 정보
- 표준 SMILES
NCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1- InChIKey
MINLECAKOASWQA-UHFFFAOYSA-N- 분자식
- C24H25N5O
- 평균 분자량
- 399.5 g/mol
- 단동위원소 질량
- 399.20591044
이름 및 식별자
- 우선 이름
- cis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
- IUPAC
- 7-[3-(aminomethyl)cyclobutyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
이름 및 동의어
SCHEMBL1989155SCHEMBL1989156SCHEMBL1989748MINLECAKOASWQA-IZAXUBKRSA-NMINLECAKOASWQA-UAPYVXQJSA-Ncis-7-(3-aminomethyl-cyclobutyl) -5-(3-benzyloxy-phenyl)7H-pyrrolo[2,3-d]pyrimidin4-ylaminecis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylaminecis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin4-ylaminecis-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)7H-pyrrolo[2,3-d]pyrimidin-4-ylaminetrans-7-(3-aminomethyl-cyclobutyl)-5(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylaminetrans-7-(3-aminomethyl-cyclobutyl)-5-(3-benyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylaminetrans-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
이름 더 보기
trans-7-(3-aminomethyl-cyclobutyl)-5-(3-benzyloxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin4-ylamine
데이터베이스 식별자
- PubChem CID
- 10157767
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 92 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 550
관련 반응
17건
연결된 노트
불러오는 중…