6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine

C107H68Cl7F20N15 — CID 159894132

IUPAC6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2.FC(F)(F)c1ccccc1-c1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.FC(F)(F)c1ccccc1-c1nc(Cl)cc(-c2ccccc2Cl)n1.FC(F)(F)c1ccccc1-c1nc(Cl)cc(-c2ccccn2)n1.Fc1ccc(-c2nc(Cl)c3ccccc3n2)c(C(F)(F)F)c1.Fc1ccccc1-c1cc(Cl)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/2C21H17ClF3N3.C17H9Cl2F3N2.C17H9ClF4N2.C16H9ClF3N3.C15H7ClF4N2/c22-19-16-13-28(12-14-6-2-1-3-7-14)11-10-18(16)26-20(27-19)15-8-4-5-9-17(15)21(23,24)25;22-19-16-10-11-28(12-14-6-2-1-3-7-14)13-18(16)26-20(27-19)15-8-4-5-9-17(15)21(23,24)25;18-13-8-4-2-6-11(13)14-9-15(19)24-16(23-14)10-5-1-3-7-12(10)17(20,21)22;18-15-9-14(11-6-2-4-8-13(11)19)23-16(24-15)10-5-1-3-7-12(10)17(20,21)22;17-14-9-13(12-7-3-4-8-21-12)22-15(23-14)10-5-1-2-6-11(10)16(18,19)20;16-13-10-3-1-2-4-12(10)21-14(22-13)9-6-5-8(17)7-11(9)15(18,19)20/h2*1-9H,10-13H2;2*1-9H;1-9H;1-7H
InChIKeyNVDAQQVTMBBXQN-UHFFFAOYSA-N
MW2191.96 g/mol
LogP32.49
Rot. Bonds13

About 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine

6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 159894132) has the molecular formula C107H68Cl7F20N15 and a molecular weight of 2191.96 g/mol. Its IUPAC name is 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine.

Molecular Properties

Compound Name6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID159894132
Molecular FormulaC107H68Cl7F20N15
Molecular Weight2191.96 g/mol
Exact Mass2187.33
IUPAC Name6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
SMILESFC(F)(F)c1ccccc1-c1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2.FC(F)(F)c1ccccc1-c1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.FC(F)(F)c1ccccc1-c1nc(Cl)cc(-c2ccccc2Cl)n1.FC(F)(F)c1ccccc1-c1nc(Cl)cc(-c2ccccn2)n1.Fc1ccc(-c2nc(Cl)c3ccccc3n2)c(C(F)(F)F)c1.Fc1ccccc1-c1cc(Cl)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/2C21H17ClF3N3.C17H9Cl2F3N2.C17H9ClF4N2.C16H9ClF3N3.C15H7ClF4N2/c22-19-16-13-28(12-14-6-2-1-3-7-14)11-10-18(16)26-20(27-19)15-8-4-5-9-17(15)21(23,24)25;22-19-16-10-11-28(12-14-6-2-1-3-7-14)13-18(16)26-20(27-19)15-8-4-5-9-17(15)21(23,24)25;18-13-8-4-2-6-11(13)14-9-15(19)24-16(23-14)10-5-1-3-7-12(10)17(20,21)22;18-15-9-14(11-6-2-4-8-13(11)19)23-16(24-15)10-5-1-3-7-12(10)17(20,21)22;17-14-9-13(12-7-3-4-8-21-12)22-15(23-14)10-5-1-2-6-11(10)16(18,19)20;16-13-10-3-1-2-4-12(10)21-14(22-13)9-6-5-8(17)7-11(9)15(18,19)20/h2*1-9H,10-13H2;2*1-9H;1-9H;1-7H
InChIKeyNVDAQQVTMBBXQN-UHFFFAOYSA-N
XLogP32.49
TPSA174.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.96
LogP ≤ 532.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine with MolForge

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Related Compounds

4-[4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-(trifluoromethyl)quinoline
CID 2822630
7-chloro-N-[2-[4-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]quinolin-4-amine
CID 25154808
7-chloro-N-[2-[4-[4-(2-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]quinolin-4-amine
CID 44562620
6-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-2-N-cyclohexyl-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 44563256
4-(4-Pyrimidin-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)phenyl]quinazoline
CID 46086187
2-[2-(Trifluoromethyl)phenyl]-4-{4-[5-(trifluoromethyl)pyridin-2-YL]piperazin-1-YL}quinazoline
CID 46086194
1-N-(7-chloroquinolin-4-yl)-4-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]benzene-1,4-diamine
CID 90666718
1-N-(7-chloroquinolin-4-yl)-4-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-yl]benzene-1,4-diamine
CID 90666719
N-[(2-chlorophenyl)methyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]pyrido[4,3-d]pyrimidin-2-amine
CID 46223250
2-(5-Chloro-2-fluoro-phenyl)-4-[6'-(4-methyl-piperazin-1-yl)-[3,3']bipyridinyl-5-yl]-[1,8]naphthyridine
CID 53345295
4-(3-Chloro-4-fluorophenyl)-2-(3-methylpyridin-2-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761182
4-(3-Chloro-4-fluorophenyl)-2,6-bis[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761221

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The IUPAC name of 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (CID 159894132) is 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine.
What is the SMILES notation for 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The canonical SMILES for 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine is FC(F)(F)c1ccccc1-c1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2.FC(F)(F)c1ccccc1-c1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2.FC(F)(F)c1ccccc1-c1nc(Cl)cc(-c2ccccc2Cl)n1.FC(F)(F)c1ccccc1-c1nc(Cl)cc(-c2ccccn2)n1.Fc1ccc(-c2nc(Cl)c3ccccc3n2)c(C(F)(F)F)c1.Fc1ccccc1-c1cc(Cl)nc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is NVDAQQVTMBBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17ClF3N3.C17H9Cl2F3N2.C17H9ClF4N2.C16H9ClF3N3.C15H7ClF4N2/c22-19-16-13-28(12-14-6-2-1-3-7-14)11-10-18(16)26-20(27-19)15-8-4-5-9-17(15)21(23,24)25;22-19-16-10-11-28(12-14-6-2-1-3-7-14)13-18(16)26-20(27-19)15-8-4-5-9-17(15)21(23,24)25;18-13-8-4-2-6-11(13)14-9-15(19)24-16(23-14)10-5-1-3-7-12(10)17(20,21)22;18-15-9-14(11-6-2-4-8-13(11)19)23-16(24-15)10-5-1-3-7-12(10)17(20,21)22;17-14-9-13(12-7-3-4-8-21-12)22-15(23-14)10-5-1-2-6-11(10)16(18,19)20;16-13-10-3-1-2-4-12(10)21-14(22-13)9-6-5-8(17)7-11(9)15(18,19)20/h2*1-9H,10-13H2;2*1-9H;1-9H;1-7H.
What are the key properties of 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 2191.96 g/mol, XLogP of 32.49, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;7-benzyl-4-chloro-2-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;4-chloro-6-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidine;4-chloro-2-[4-fluoro-2-(trifluoromethyl)phenyl]quinazoline;4-chloro-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 159894132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).