Methyl 2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate

HCID 10424248

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 160009-37-0
표준 SMILES: COC(=O)c1c(-c2ccc(F)cc2)nc(N)nc1C(C)C
InChIKey: RMYXELUYVYVDAI-UHFFFAOYSA-N
분자식: C15H16FN3O2
평균 분자량: 289.3 g/mol
단동위원소 질량: 289.12265497

이름 및 식별자

우선 이름: Methyl 2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate
IUPAC: methyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylate
영어명: Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethanesulfonamido)]pyrimidine-5-carboxylate
분자식: C15H16FN3O2
분자량: 289.3

이름 및 동의어

160009-37-0Methyl 2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylatemethyl 2-amino-4-(4-fluorophenyl)-6-isopropyl-pyrimidine-5-carboxylatemethyl 2-amino-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carboxylateRMYXELUYVYVDAI-UHFFFAOYSA-NSCHEMBL1752471DTXSID801142586AKOS000280350SB60076DB-297836Methyl 2-amino-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidine-5-carboxylateMethyl2-amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate

이름 더 보기

5-Pyrimidinecarboxylic acid, 2-amino-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl esterMethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethanesulfonamido)]pyrimidine-5-carboxylate

Methyl 2-amino-4-(4-fluorophenyl)-6-(1-methylethyl)-5-pyrimidinecarboxylateMethyl 2-Amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate; 5-Pyrimidinecarboxylic acid, 2-amino-4-(4-fluorophenyl)-6-(1-methylethyl)-, methyl ester; Methyl 2-Amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate

데이터베이스 식별자

CAS: 160009-37-0
PubChem CID: 10424248
DTXSID: DTXSID801142586

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 359

물리화학적 성질

끓는 점: 498.1 · 498.1±55.0 °C(Predicted)
밀도: 1.227 · 1.227±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 1.98 · 1.98±0.10(Predicted)

화학 및 산업

응용 분야 · 1건

용도Methyl 2-Amino-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate is an intermediate in the synthesis of Rosuvastatin-d3 Sodium Salt (R700501), the labeled analogue of Rosuvastatin (R700500), a selective, competitive HMG-CoA reductase inhibitor. Antilipemic.