CAS 104227-89-6 9-(2-(2,2-Dimethyl-1,3-dioxan-5-yl)ethyl)-9H-purin-2-amine (HCID 10956797)

기본 정보

CAS: 104227-89-6
표준 SMILES: CC1(C)OCC(CCn2cnc3cnc(N)nc32)CO1
InChIKey: JAGXUSFVFJWYHH-UHFFFAOYSA-N
분자식: C13H19N5O2
평균 분자량: 277.32 g/mol
단동위원소 질량: 277.15387485

이름 및 식별자

우선 이름: 9-(2-(2,2-Dimethyl-1,3-dioxan-5-yl)ethyl)-9H-purin-2-amine
IUPAC: 9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]purin-2-amine
영어명: 9-[2-(2,2-Dimethyl-1,3-dioxan-5-yl)ethyl]-9H-purin-2-amine
분자식: C13H19N5O2
분자량: 277.32226

이름 및 동의어

104227-89-69-[2-(2,2-Dimethyl-1,3-dioxan-5-yl)ethyl]-9H-purin-2-amine9-(2-(2,2-Dimethyl-1,3-dioxan-5-yl)ethyl)-9H-purin-2-amineRefChem:3127405-[2-(2-aminopurin-9-yl)ethyl]-2,2-dimethyl-1,3-dioxanestarbld0024865CHEMBL51419SCHEMBL1883249JAGXUSFVFJWYHH-UHFFFAOYSA-NDTXSID1011938072,2-dimethyl-5-[2-(2-aminopurin-9-yl)ethyl]-1,3-dioxane2-amino-9-[2-(2,2-dimethyl-1,3-dioxan-5-yl)ethyl]purine

데이터베이스 식별자

CAS: 104227-89-6
PubChem CID: 10956797
DTXSID: DTXSID101193807
ChEMBL: CHEMBL51419
Nikkaji: J1.410.123C

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 88.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 331

물리화학적 성질

용해도: DMF, DMSO, 메탄올 에 용해됨
물리적 상태: 고체
색상: 갈색을 띤 노란색

화학 및 산업

응용 분야 · 1건

용도9-[2-(2,2-Dimethyl-1,3-dioxan-5-yl)ethyl]-9H-purin-2-amine is an intermediate in the synthesis of 9-(4-Acetoxy-3-acetoxymethyl-but-1-yl)-2-(1-[9-(4-acetoxy-3-acetoxymethylbut-1-yl)-2-aminopurine-8-yl])-ethyl-aminopurine (A164160) is an impurity of Famciclovir (F101125), the produrg of Penciclovir (P221500), an antiviral agent.