2-{[1-Methyl-2-(methyloxy)ethyl]oxy}-8-(methoxy)-9-(tetrahydro-2H-pyran-3-ylmethyl)-9H-purin-6-amine

HCID 57699698

기본 정보

표준 SMILES
COCC(C)Oc1nc(N)c2nc(OC)n(CC3CCCOC3)c2n1
InChIKey
QVVKRMFZEHKODN-UHFFFAOYSA-N
분자식
C16H25N5O4
평균 분자량
351.4 g/mol
단동위원소 질량
351.1906543

이름 및 식별자

우선 이름
2-{[1-Methyl-2-(methyloxy)ethyl]oxy}-8-(methoxy)-9-(tetrahydro-2H-pyran-3-ylmethyl)-9H-purin-6-amine
IUPAC
8-methoxy-2-(1-methoxypropan-2-yloxy)-9-(oxan-3-ylmethyl)purin-6-amine

이름 및 동의어

SCHEMBL2198093QVVKRMFZEHKODN-UHFFFAOYSA-N2-{[1-methyl-2-(methoxy)ethyl]oxy}-8-(methyloxy)-9-(tetrahydro-2H-pyran-3-ylmethyl)-9H-purin-6-amine2-{[1-Methyl-2-(methyloxy)ethyl]oxy}-8-(methoxy)-9-(tetrahydro-2H-pyran-3-ylmethyl)-9H-purin-6-amine

데이터베이스 식별자

PubChem CID
57699698

물성

구조 계산 물성

XLogP
1.1
극성 표면적
107 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
25

관련 반응

4건

화합물 노트

불러오는 중…

2-{[1-Methyl-2-(methyloxy)ethyl]oxy}-8-(methoxy)-9-(tetrahydro-2H-pyran-3-ylmethyl)-9H-purin-6-amine (HCID 57699698)|Huagongshe