6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one

C19H21F3N2O — CID 25128111

IUPAC6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
SMILESCc1ccc(-n2c(C3CCC(C(F)(F)F)CC3)nc(C)cc2=O)cc1
InChIInChI=1S/C19H21F3N2O/c1-12-3-9-16(10-4-12)24-17(25)11-13(2)23-18(24)14-5-7-15(8-6-14)19(20,21)22/h3-4,9-11,14-15H,5-8H2,1-2H3
InChIKeySWOUDKBKWMAKON-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.69
Rot. Bonds2

About 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one

6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one (PubChem CID 25128111) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
PubChem CID25128111
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
SMILESCc1ccc(-n2c(C3CCC(C(F)(F)F)CC3)nc(C)cc2=O)cc1
InChIInChI=1S/C19H21F3N2O/c1-12-3-9-16(10-4-12)24-17(25)11-13(2)23-18(24)14-5-7-15(8-6-14)19(20,21)22/h3-4,9-11,14-15H,5-8H2,1-2H3
InChIKeySWOUDKBKWMAKON-UHFFFAOYSA-N
XLogP4.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one (CID 25128111) is 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one is Cc1ccc(-n2c(C3CCC(C(F)(F)F)CC3)nc(C)cc2=O)cc1.
What is the InChIKey of 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The InChIKey is SWOUDKBKWMAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-12-3-9-16(10-4-12)24-17(25)11-13(2)23-18(24)14-5-7-15(8-6-14)19(20,21)22/h3-4,9-11,14-15H,5-8H2,1-2H3.
What are the key properties of 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one has a molecular weight of 350.38 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-methylphenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one is sourced from PubChem (CID 25128111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).