2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

C11H15F3N4O — CID 102549309

IUPAC2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1c(N2CCCC(N)C2)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C11H15F3N4O/c1-17-9(19)5-8(11(12,13)14)16-10(17)18-4-2-3-7(15)6-18/h5,7H,2-4,6,15H2,1H3
InChIKeyRCILYVNEWMGULT-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.73
Rot. Bonds1

About 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 102549309) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID102549309
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCn1c(N2CCCC(N)C2)nc(C(F)(F)F)cc1=O
InChIInChI=1S/C11H15F3N4O/c1-17-9(19)5-8(11(12,13)14)16-10(17)18-4-2-3-7(15)6-18/h5,7H,2-4,6,15H2,1H3
InChIKeyRCILYVNEWMGULT-UHFFFAOYSA-N
XLogP0.73
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Hydroxy-6-trifluoromethyl-pyrimidin-2-ylamino)-1-piperidin-1-yl-ethanone
CID 136048721
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 135644916
2-Piperazin-1-yl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 136103243
2-Methyl-8-(trifluoromethyl)-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 141392451
2-[[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]amino]-1H-pyrimidin-6-one
CID 154058334
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-[(3S)-3-aminopyrrolidin-1-yl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 97619988
2-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 97619989

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one (CID 102549309) is 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one is Cn1c(N2CCCC(N)C2)nc(C(F)(F)F)cc1=O.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is RCILYVNEWMGULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-17-9(19)5-8(11(12,13)14)16-10(17)18-4-2-3-7(15)6-18/h5,7H,2-4,6,15H2,1H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 276.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-3-methyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 102549309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).