5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

C68H69ClF3N9O6 — CID 158784211

IUPAC5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)ccn1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)n2)c(=O)[nH]1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccc2Cl)c(=O)[nH]1
InChIInChI=1S/C23H22F3N3O2.C23H25N3O2.C22H22ClN3O2/c24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14;1-15-13-16(11-12-24-15)14-20-21(25-23(28)26-22(20)27)19-9-7-18(8-10-19)17-5-3-2-4-6-17;23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,28,29,30,31);2-6,11-13,18-19H,7-10,14H2,1H3,(H2,25,26,27,28);1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28)
InChIKeyIRLTXEFXIMUGGQ-UHFFFAOYSA-N
MW1200.80 g/mol
LogP12.45
Rot. Bonds12

About 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione

5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 158784211) has the molecular formula C68H69ClF3N9O6 and a molecular weight of 1200.80 g/mol. Its IUPAC name is 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID158784211
Molecular FormulaC68H69ClF3N9O6
Molecular Weight1200.80 g/mol
Exact Mass1199.50
IUPAC Name5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1cc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)ccn1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)n2)c(=O)[nH]1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccc2Cl)c(=O)[nH]1
InChIInChI=1S/C23H22F3N3O2.C23H25N3O2.C22H22ClN3O2/c24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14;1-15-13-16(11-12-24-15)14-20-21(25-23(28)26-22(20)27)19-9-7-18(8-10-19)17-5-3-2-4-6-17;23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,28,29,30,31);2-6,11-13,18-19H,7-10,14H2,1H3,(H2,25,26,27,28);1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28)
InChIKeyIRLTXEFXIMUGGQ-UHFFFAOYSA-N
XLogP12.45
TPSA235.83 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.80
LogP ≤ 512.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550098
N-[5-(4-benzylpiperidine-1-carbonyl)-2-ethylphenyl]-6-chloropyridine-3-carboxamide;N-[5-(4-benzylpiperidine-1-carbonyl)-2-methylphenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 87727930
N-[1-(5-chloro-2-pyridinyl)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[1-(3,5-difluorophenyl)-1-(5-methyl-2-pyridinyl)-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123232907
N-[(1R)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123620591
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;bis(4-(1,1-difluoroethyl)-3-fluoro-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenyl-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide)
CID 123994544
5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
CID 157188790
4-[5-(2-aminoprop-2-enyl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclopentylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(ethylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(methylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
CID 157388729
5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-(pyrimidin-2-ylmethyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
CID 157436201
4-[3-chloro-5-[1-(cyclohexylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(cyclopentylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 157486092
4-[5-(3-aminobut-3-en-2-yl)-3-chloro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;methane
CID 157774169
N-[(1S)-1-(5-chloro-2-pyridinyl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;methane
CID 157789497
4-[5-(1-amino-1-oxopropan-2-yl)-3-chloro-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[2-(cyclohexylamino)-2-oxoethyl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(ethylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide;4-[3-chloro-5-[1-(methylamino)-1-oxopropan-2-yl]-2-pyridinyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 158530676

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione (CID 158784211) is 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is Cc1cc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)ccn1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)n2)c(=O)[nH]1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccc2Cl)c(=O)[nH]1.
What is the InChIKey of 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is IRLTXEFXIMUGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2.C23H25N3O2.C22H22ClN3O2/c24-23(25,26)19-8-4-7-17(27-19)13-18-20(28-22(31)29-21(18)30)16-11-9-15(10-12-16)14-5-2-1-3-6-14;1-15-13-16(11-12-24-15)14-20-21(25-23(28)26-22(20)27)19-9-7-18(8-10-19)17-5-3-2-4-6-17;23-18-7-4-12-24-19(18)13-17-20(25-22(28)26-21(17)27)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-8,15-16H,9-13H2,(H2,28,29,30,31);2-6,11-13,18-19H,7-10,14H2,1H3,(H2,25,26,27,28);1-7,12,15-16H,8-11,13H2,(H2,25,26,27,28).
What are the key properties of 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione?
5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 1200.80 g/mol, XLogP of 12.45, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2-methyl-4-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;6-(4-phenylcyclohexyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 158784211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).