Cyclohexanecarboxylic acid, 1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]-, cis-
한글명:Cyclohexanecarboxylic acid, 1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]-, cis-
카스 번호2778223-52-0
상품명:Cyclohexanecarboxylic acid, 1-methoxy-4-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]-, cis-
CBNumberCB512220444
분자식C17H23N5O3
포뮬러 무게345.4
MOL 파일2778223-52-0.mol
화학적 성질
끓는 점 | 597.6±50.0 °C(Predicted) |
밀도 | 1.32±0.1 g/cm3(Predicted) |
산도 계수 (pKa) | 4.23±0.44(Predicted) |
InChI | InChI=1S/C17H23N5O3/c1-10-8-13(19-14-9-11(2)21-22-14)20-15(18-10)12-4-6-17(25-3,7-5-12)16(23)24/h8-9,12H,4-7H2,1-3H3,(H,23,24)(H2,18,19,20,21,22)/t12-,17- |
InChIKey | QKVACMCXFIAPPC-QASKLWRZSA-N |
SMILES | [C@]1(OC)(C(O)=O)CC[C@H](C2=NC(NC3C=C(C)NN=3)=CC(C)=N2)CC1 |