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

C113H117ClF3N15O10 — CID 157436201

IUPAC5-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
SMILESCc1cc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)ccn1.Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c1=O.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.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccn2)c(=O)[nH]1
InChIInChI=1S/C24H26N2O2.C23H22F3N3O2.C23H25N3O2.C22H22ClN3O2.C21H22N4O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18;24-23(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;26-20-17(13-18-22-11-4-12-23-18)19(24-21(27)25-20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h2-11,19-20H,12-16H2,1H3,(H,25,28);1-8,15-16H,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);1-6,11-12,15-16H,7-10,13H2,(H2,24,25,26,27)
InChIKeyBRCZTRZWBRCVBF-UHFFFAOYSA-N
MW1937.72 g/mol
LogP19.44
Rot. Bonds20

About 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

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 (PubChem CID 157436201) has the molecular formula C113H117ClF3N15O10 and a molecular weight of 1937.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID157436201
Molecular FormulaC113H117ClF3N15O10
Molecular Weight1937.72 g/mol
Exact Mass1935.87
IUPAC Name5-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
SMILESCc1cc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)ccn1.Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c1=O.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.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccn2)c(=O)[nH]1
InChIInChI=1S/C24H26N2O2.C23H22F3N3O2.C23H25N3O2.C22H22ClN3O2.C21H22N4O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18;24-23(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;26-20-17(13-18-22-11-4-12-23-18)19(24-21(27)25-20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h2-11,19-20H,12-16H2,1H3,(H,25,28);1-8,15-16H,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);1-6,11-12,15-16H,7-10,13H2,(H2,24,25,26,27)
InChIKeyBRCZTRZWBRCVBF-UHFFFAOYSA-N
XLogP19.44
TPSA382.19 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001937.72
LogP ≤ 519.44
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-[[(4S)-3,3-difluoropiperidin-4-yl]methyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
CID 127029374
4-[2-(4-Benzylpiperazin-1-yl)pyrimidin-4-yl]benzamide;4-[2-[(3,5-dichlorophenyl)methylamino]pyrimidin-4-yl]benzamide;4-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]benzamide
CID 18469967
2-[(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 58279805
6-(3-Chloro-5-cyclopentylpyridin-2-yl)-2-(4-piperidin-4-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 70934328
6-[3-Chloro-5-(1-methylpiperidin-2-yl)pyridin-2-yl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 70934421
N-[amino-[4-(2-chloro-3-pyridinyl)-5-fluoropyrimidin-2-yl]methyl]-3-[[3-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]amino]-4-methyl-N-(3-propan-2-ylphenyl)benzamide
CID 87220097
2-chloro-N-[2-[1-[[4-(5-chloropyrimidin-2-yl)phenyl]methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridin-3-yl]pyridine-4-carboxamide
CID 87421914
3-[[3-(6-aminopyrimidin-4-yl)-5-[2-[[3-(6-aminopyrimidin-4-yl)-2-pyridinyl]amino]-4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-2-pyridinyl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 89337351
6-[2-Chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473918
6-[2-Chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-propan-2-ylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473924
6-[2-Chloro-4-(6-fluoro-2-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473925
6-[2-Chloro-4-(2-fluoro-6-methyl-3-pyridinyl)phenyl]-8-ethyl-2-[4-(1-ethylpiperidin-4-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
CID 89473987

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)ccn1.Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c1=O.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.O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ncccn2)c(=O)[nH]1.
What is the InChIKey of 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?
The InChIKey is BRCZTRZWBRCVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.C23H22F3N3O2.C23H25N3O2.C22H22ClN3O2.C21H22N4O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18;24-23(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;26-20-17(13-18-22-11-4-12-23-18)19(24-21(27)25-20)16-9-7-15(8-10-16)14-5-2-1-3-6-14/h2-11,19-20H,12-16H2,1H3,(H,25,28);1-8,15-16H,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);1-6,11-12,15-16H,7-10,13H2,(H2,24,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 1937.72 g/mol, XLogP of 19.44, 20 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157436201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).