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

C96H97ClF6N8O8 — CID 159973012

IUPAC5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)n(C)c2=O)c1.Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccc(F)c(Cl)c2)c(=O)[nH]1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(F)c2F)c(=O)[nH]1
InChIInChI=1S/C25H25F3N2O2.C25H28N2O2.C23H22ClFN2O2.C23H22F2N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17;1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19;24-19-13-14(6-11-20(19)25)12-18-21(26-23(29)27-22(18)28)17-9-7-16(8-10-17)15-4-2-1-3-5-15;24-19-8-4-7-17(20(19)25)13-18-21(26-23(29)27-22(18)28)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32);3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29);1-6,11,13,16-17H,7-10,12H2,(H2,26,27,28,29);1-8,15-16H,9-13H2,(H2,26,27,28,29)
InChIKeyOEUIPEIZDKEKBY-UHFFFAOYSA-N
MW1640.32 g/mol
LogP18.80
Rot. Bonds16

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

5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 159973012) has the molecular formula C96H97ClF6N8O8 and a molecular weight of 1640.32 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID159973012
Molecular FormulaC96H97ClF6N8O8
Molecular Weight1640.32 g/mol
Exact Mass1638.70
IUPAC Name5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)n(C)c2=O)c1.Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccc(F)c(Cl)c2)c(=O)[nH]1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(F)c2F)c(=O)[nH]1
InChIInChI=1S/C25H25F3N2O2.C25H28N2O2.C23H22ClFN2O2.C23H22F2N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17;1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19;24-19-13-14(6-11-20(19)25)12-18-21(26-23(29)27-22(18)28)17-9-7-16(8-10-17)15-4-2-1-3-5-15;24-19-8-4-7-17(20(19)25)13-18-21(26-23(29)27-22(18)28)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32);3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29);1-6,11,13,16-17H,7-10,12H2,(H2,26,27,28,29);1-8,15-16H,9-13H2,(H2,26,27,28,29)
InChIKeyOEUIPEIZDKEKBY-UHFFFAOYSA-N
XLogP18.80
TPSA241.16 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001640.32
LogP ≤ 518.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-oxopropyl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 175383711
5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 90211104
3-methyl-6-morpholin-4-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 3471119
6-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione
CID 83950321
1-(1,4-dioxan-2-yl)-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 175383767
4-(4-phenylcyclohexyl)-2-pyridin-1-ium-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-6-one
CID 172620796
5-[(3-chloro-2-pyridinyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
CID 66550098
6-(4-phenylcyclohexyl)-2-sulfanyl-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 141351279
2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
CID 158825905
2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 164816523
5-benzyl-6-[4-[3-chloro-4-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]-1H-pyrimidine-2,4-dione
CID 153372849
5-benzyl-6-[4-(3-chlorophenyl)cyclohex-3-en-1-yl]-1H-pyrimidine-2,4-dione
CID 153372852

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione (CID 159973012) is 5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is Cc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)n(C)c2=O)c1.Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(C(F)(F)F)c2)c1=O.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccc(F)c(Cl)c2)c(=O)[nH]1.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2cccc(F)c2F)c(=O)[nH]1.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is OEUIPEIZDKEKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2.C25H28N2O2.C23H22ClFN2O2.C23H22F2N2O2/c1-30-23(31)21(15-16-6-5-9-20(14-16)25(26,27)28)22(29-24(30)32)19-12-10-18(11-13-19)17-7-3-2-4-8-17;1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19;24-19-13-14(6-11-20(19)25)12-18-21(26-23(29)27-22(18)28)17-9-7-16(8-10-17)15-4-2-1-3-5-15;24-19-8-4-7-17(20(19)25)13-18-21(26-23(29)27-22(18)28)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h2-9,14,18-19H,10-13,15H2,1H3,(H,29,32);3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29);1-6,11,13,16-17H,7-10,12H2,(H2,26,27,28,29);1-8,15-16H,9-13H2,(H2,26,27,28,29).
What are the key properties of 5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione?
5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 1640.32 g/mol, XLogP of 18.80, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;5-[(2,3-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione;3-methyl-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 159973012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).