1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one

C15H16N4O — CID 94075450

IUPAC1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
SMILESCc1nc(-c2cccnc2)cc(N2CCC(=O)CC2)n1
InChIInChI=1S/C15H16N4O/c1-11-17-14(12-3-2-6-16-10-12)9-15(18-11)19-7-4-13(20)5-8-19/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyGALXLPLPSAOIGT-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.02
Rot. Bonds2

About 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one

1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one (PubChem CID 94075450) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
PubChem CID94075450
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
SMILESCc1nc(-c2cccnc2)cc(N2CCC(=O)CC2)n1
InChIInChI=1S/C15H16N4O/c1-11-17-14(12-3-2-6-16-10-12)9-15(18-11)19-7-4-13(20)5-8-19/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyGALXLPLPSAOIGT-UHFFFAOYSA-N
XLogP2.02
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one?
The IUPAC name of 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one (CID 94075450) is 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one?
The canonical SMILES for 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one is Cc1nc(-c2cccnc2)cc(N2CCC(=O)CC2)n1.
What is the InChIKey of 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one?
The InChIKey is GALXLPLPSAOIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-17-14(12-3-2-6-16-10-12)9-15(18-11)19-7-4-13(20)5-8-19/h2-3,6,9-10H,4-5,7-8H2,1H3.
What are the key properties of 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one?
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one has a molecular weight of 268.32 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one is sourced from PubChem (CID 94075450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).