6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one

C17H17ClF3N3O — CID 69176196

IUPAC6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
SMILESNc1cc(=O)n(-c2ccc(Cl)cc2)c(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H17ClF3N3O/c18-12-5-7-13(8-6-12)24-15(25)9-14(22)23-16(24)10-1-3-11(4-2-10)17(19,20)21/h5-11H,1-4,22H2
InChIKeyYYOVPCLMXTYMFO-UHFFFAOYSA-N
MW371.79 g/mol
LogP4.30
Rot. Bonds2

About 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one

6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one (PubChem CID 69176196) has the molecular formula C17H17ClF3N3O and a molecular weight of 371.79 g/mol. Its IUPAC name is 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
PubChem CID69176196
Molecular FormulaC17H17ClF3N3O
Molecular Weight371.79 g/mol
Exact Mass371.10
IUPAC Name6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one
SMILESNc1cc(=O)n(-c2ccc(Cl)cc2)c(C2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H17ClF3N3O/c18-12-5-7-13(8-6-12)24-15(25)9-14(22)23-16(24)10-1-3-11(4-2-10)17(19,20)21/h5-11H,1-4,22H2
InChIKeyYYOVPCLMXTYMFO-UHFFFAOYSA-N
XLogP4.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.79
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The IUPAC name of 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one (CID 69176196) is 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one.
What is the SMILES notation for 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The canonical SMILES for 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one is Nc1cc(=O)n(-c2ccc(Cl)cc2)c(C2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
The InChIKey is YYOVPCLMXTYMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O/c18-12-5-7-13(8-6-12)24-15(25)9-14(22)23-16(24)10-1-3-11(4-2-10)17(19,20)21/h5-11H,1-4,22H2.
What are the key properties of 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one?
6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one has a molecular weight of 371.79 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-chlorophenyl)-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one is sourced from PubChem (CID 69176196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).