2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H14F3N3O — CID 136741348

IUPAC2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC1CCCCN1c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H14F3N3O/c1-7-4-2-3-5-17(7)10-15-8(11(12,13)14)6-9(18)16-10/h6-7H,2-5H2,1H3,(H,15,16,18)
InChIKeyIDKJDNUYAVEKGH-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.17
Rot. Bonds1

About 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136741348) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136741348
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCC1CCCCN1c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H14F3N3O/c1-7-4-2-3-5-17(7)10-15-8(11(12,13)14)6-9(18)16-10/h6-7H,2-5H2,1H3,(H,15,16,18)
InChIKeyIDKJDNUYAVEKGH-UHFFFAOYSA-N
XLogP2.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
2-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325827
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135644916
4-(difluoromethyl)-2-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137160189
2-Pentyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392450
2-Methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392451
3-Methyl-2-piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 97619979
2-(4-Aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 97619980
2-[(3S)-3-aminopiperidin-1-yl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 97619981
2-[(3R)-3-aminopiperidin-1-yl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 97619982
2-(3-Aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 102549309
2-Diethylamino-4-hydroxy-6-trifluoromethylpyrimidine
CID 135603401

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136741348) is 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is CC1CCCCN1c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is IDKJDNUYAVEKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7-4-2-3-5-17(7)10-15-8(11(12,13)14)6-9(18)16-10/h6-7H,2-5H2,1H3,(H,15,16,18).
What are the key properties of 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 261.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136741348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).