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

C18H19F3N2O — CID 25127778

IUPAC6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccccc2)c(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C18H19F3N2O/c1-12-11-16(24)23(15-5-3-2-4-6-15)17(22-12)13-7-9-14(10-8-13)18(19,20)21/h2-6,11,13-14H,7-10H2,1H3
InChIKeyCLZZISMSDGNXDE-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.38
Rot. Bonds2

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

6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one (PubChem CID 25127778) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
PubChem CID25127778
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccccc2)c(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C18H19F3N2O/c1-12-11-16(24)23(15-5-3-2-4-6-15)17(22-12)13-7-9-14(10-8-13)18(19,20)21/h2-6,11,13-14H,7-10H2,1H3
InChIKeyCLZZISMSDGNXDE-UHFFFAOYSA-N
XLogP4.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one (CID 25127778) is 6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one is Cc1cc(=O)n(-c2ccccc2)c(C2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The InChIKey is CLZZISMSDGNXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-12-11-16(24)23(15-5-3-2-4-6-15)17(22-12)13-7-9-14(10-8-13)18(19,20)21/h2-6,11,13-14H,7-10H2,1H3.
What are the key properties of 6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one has a molecular weight of 336.36 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-phenyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one is sourced from PubChem (CID 25127778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).