2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one

C16H19N3O — CID 82105216

IUPAC2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)cc(=O)n1C1CCNCC1
InChIInChI=1S/C16H19N3O/c1-12-18-15(13-5-3-2-4-6-13)11-16(20)19(12)14-7-9-17-10-8-14/h2-6,11,14,17H,7-10H2,1H3
InChIKeyXJPCUEQHXIAVIS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.14
Rot. Bonds2

About 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one

2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one (PubChem CID 82105216) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one
PubChem CID82105216
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2)cc(=O)n1C1CCNCC1
InChIInChI=1S/C16H19N3O/c1-12-18-15(13-5-3-2-4-6-13)11-16(20)19(12)14-7-9-17-10-8-14/h2-6,11,14,17H,7-10H2,1H3
InChIKeyXJPCUEQHXIAVIS-UHFFFAOYSA-N
XLogP2.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one?
The IUPAC name of 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one (CID 82105216) is 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one is Cc1nc(-c2ccccc2)cc(=O)n1C1CCNCC1.
What is the InChIKey of 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one?
The InChIKey is XJPCUEQHXIAVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-18-15(13-5-3-2-4-6-13)11-16(20)19(12)14-7-9-17-10-8-14/h2-6,11,14,17H,7-10H2,1H3.
What are the key properties of 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one?
2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one has a molecular weight of 269.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenyl-3-piperidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 82105216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).