2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

C12H10ClF3N2O — CID 165479025

IUPAC2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1c(Cl)nc2cc(C(F)(F)F)ccn2c1=O
InChIInChI=1S/C12H10ClF3N2O/c1-6(2)9-10(13)17-8-5-7(12(14,15)16)3-4-18(8)11(9)19/h3-6H,1-2H3
InChIKeyNPEFVZPJZXIOCF-UHFFFAOYSA-N
MW290.67 g/mol
LogP3.49
Rot. Bonds1

About 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one

2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 165479025) has the molecular formula C12H10ClF3N2O and a molecular weight of 290.67 g/mol. Its IUPAC name is 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID165479025
Molecular FormulaC12H10ClF3N2O
Molecular Weight290.67 g/mol
Exact Mass290.04
IUPAC Name2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1c(Cl)nc2cc(C(F)(F)F)ccn2c1=O
InChIInChI=1S/C12H10ClF3N2O/c1-6(2)9-10(13)17-8-5-7(12(14,15)16)3-4-18(8)11(9)19/h3-6H,1-2H3
InChIKeyNPEFVZPJZXIOCF-UHFFFAOYSA-N
XLogP3.49
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.67
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one (CID 165479025) is 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is CC(C)c1c(Cl)nc2cc(C(F)(F)F)ccn2c1=O.
What is the InChIKey of 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NPEFVZPJZXIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2O/c1-6(2)9-10(13)17-8-5-7(12(14,15)16)3-4-18(8)11(9)19/h3-6H,1-2H3.
What are the key properties of 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one?
2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 290.67 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-propan-2-yl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 165479025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).