4-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyrimidin-2-amine

HCID 52987906

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 944401-55-2
표준 SMILES: Cc1nc(N)ncc1B1OC(C)(C)C(C)(C)O1
InChIKey: SYJMHOBGFXCKRG-UHFFFAOYSA-N
분자식: C11H18BN3O2
평균 분자량: 235.09 g/mol
단동위원소 질량: 235.14920722

이름 및 식별자

우선 이름: 4-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)pyrimidin-2-amine
IUPAC: 4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
영어명: 4-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
분자식: C11H18BN3O2
분자량: 235.09

이름 및 동의어

944401-55-24-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINEMFCD18072554SCHEMBL1114281AKOS0160002822-Amino-4-methylpyrimidine-5-boronic acid pinacol esterDS-5779(2-AMINO-4-METHYLPYRIMIDIN-5-YL)BORONIC ACID PINACOL ESTER2-Amino-4-methylpyrimidin-5-boronic acid pinacol ester[4-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-YL]AMINE4-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrimidin-2-ylamine4-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl]-pyrimidin-2-ylamine

이름 더 보기

1003134-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)2-Amino-4-methylpyrimidine-5-boronicacidpinacolester,96%2-AMino-4-MethylpyriMidine-5-boronic acid pinacol ester, 96%2-PyriMidinaMine, 4-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-

A8492374-Methyl-2-aminopyrimidine-5-boronic acid pinacol esterDTXSID50680997SYJMHOBGFXCKRG-UHFFFAOYSA-NSB55508SY104523DB-010255F215231

데이터베이스 식별자

CAS: 944401-55-2
PubChem CID: 52987906
DTXSID: DTXSID50680997

물성

구조 계산 물성

극성 표면적: 70.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 17
형식 전하: 0
복잡도: 282

물리화학적 성질

끓는 점: 409.7 · 409.7±47.0 °C(Predicted)
밀도: 1.11 · 1.11
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 4.19 · 4.19±0.10(Predicted)
수용성: 물에 약간 용해됩니다.
InChI: InChI=1S/C11H18BN3O2/c1-7-8(6-14-9(13)15-7)12-16-10(2,3)11(4,5)17-12/h6H,1-5H3,(H2,13,14,15)
InChIKey: SYJMHOBGFXCKRG-UHFFFAOYSA-N
SMILES: C1(N)=NC=C(B2OC(C)(C)C(C)(C)O2)C(C)=N1