3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C10H11F3N2O — CID 10775915

IUPAC3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H11F3N2O/c1-6-8(10(11,12)13)14-7-4-2-3-5-15(7)9(6)16/h2-5H2,1H3
InChIKeyKCEYHSHVEKJTHI-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.91
Rot. Bonds

About 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 10775915) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID10775915
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(C(F)(F)F)nc2n(c1=O)CCCC2
InChIInChI=1S/C10H11F3N2O/c1-6-8(10(11,12)13)14-7-4-2-3-5-15(7)9(6)16/h2-5H2,1H3
InChIKeyKCEYHSHVEKJTHI-UHFFFAOYSA-N
XLogP1.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 10775915) is 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1c(C(F)(F)F)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KCEYHSHVEKJTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6-8(10(11,12)13)14-7-4-2-3-5-15(7)9(6)16/h2-5H2,1H3.
What are the key properties of 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 232.20 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10775915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).