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-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine

C92H61Cl6F16N13 — CID 159703461

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-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.Fc1ccccc1-c1cc(Cl)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/2C21H17ClF3N3.C17H9Cl2F3N2.C17H9ClF4N2.C16H9ClF3N3/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/h2*1-9H,10-13H2;2*1-9H;1-9H
InChIKeyMXXKCKWOKXQYSJ-UHFFFAOYSA-N
MW1865.28 g/mol
LogP27.38
Rot. Bonds12

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-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-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (PubChem CID 159703461) has the molecular formula C92H61Cl6F16N13 and a molecular weight of 1865.28 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-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-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
PubChem CID159703461
Molecular FormulaC92H61Cl6F16N13
Molecular Weight1865.28 g/mol
Exact Mass1861.30
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-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.Fc1ccccc1-c1cc(Cl)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/2C21H17ClF3N3.C17H9Cl2F3N2.C17H9ClF4N2.C16H9ClF3N3/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/h2*1-9H,10-13H2;2*1-9H;1-9H
InChIKeyMXXKCKWOKXQYSJ-UHFFFAOYSA-N
XLogP27.38
TPSA148.27 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001865.28
LogP ≤ 527.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine with MolForge

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Related Compounds

6-[(2-chlorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 16028297
7-Benzyl-4-chloro-2-[6-(trifluoromethyl)pyridin-3-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456543
2-Chloro-3-(2-chloro-6-fluorophenyl)-4-(4-methylpiperidinyl)-6-(pyrimidin-2-yl)pyridine
CID 24853493
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
2-(5-Chloro-2-fluorophenyl)-4-(2,7-naphthyridin-4-yl)-1,8-naphthyridine
CID 56592039
4-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-N,N-dimethyl-2,7-naphthyridin-1-amine
CID 56592294
4-(3-Chloro-4-fluorophenyl)-2-(2-ethylpiperidin-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761036
1-[4-(3-chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]-N,N-diethylpiperidin-4-amine
CID 57761041
4-(3-Chloro-4-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761154
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-fluoro-phenyl)-2-(1-propyl-piperidin-4-yl)-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidine
CID 57761194

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-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-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine (CID 159703461) 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-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-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-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.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-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine?
The InChIKey is MXXKCKWOKXQYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17ClF3N3.C17H9Cl2F3N2.C17H9ClF4N2.C16H9ClF3N3/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/h2*1-9H,10-13H2;2*1-9H;1-9H.
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-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-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine has a molecular weight of 1865.28 g/mol, XLogP of 27.38, 12 rotatable bonds, 0 hydrogen bond donors, and 13 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-6-pyridin-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine is sourced from PubChem (CID 159703461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).