1-methyl-5-piperidin-4-ylpyrimidin-2-one

C10H15N3O — CID 59627424

IUPAC1-methyl-5-piperidin-4-ylpyrimidin-2-one
SMILESCn1cc(C2CCNCC2)cnc1=O
InChIInChI=1S/C10H15N3O/c1-13-7-9(6-12-10(13)14)8-2-4-11-5-3-8/h6-8,11H,2-5H2,1H3
InChIKeyHBRGCNTZEUJHKK-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.25
Rot. Bonds1

About 1-methyl-5-piperidin-4-ylpyrimidin-2-one

1-methyl-5-piperidin-4-ylpyrimidin-2-one (PubChem CID 59627424) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-methyl-5-piperidin-4-ylpyrimidin-2-one.

Molecular Properties

Compound Name1-methyl-5-piperidin-4-ylpyrimidin-2-one
PubChem CID59627424
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-methyl-5-piperidin-4-ylpyrimidin-2-one
SMILESCn1cc(C2CCNCC2)cnc1=O
InChIInChI=1S/C10H15N3O/c1-13-7-9(6-12-10(13)14)8-2-4-11-5-3-8/h6-8,11H,2-5H2,1H3
InChIKeyHBRGCNTZEUJHKK-UHFFFAOYSA-N
XLogP0.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-piperidin-4-ylpyrimidin-2-one?
The IUPAC name of 1-methyl-5-piperidin-4-ylpyrimidin-2-one (CID 59627424) is 1-methyl-5-piperidin-4-ylpyrimidin-2-one.
What is the SMILES notation for 1-methyl-5-piperidin-4-ylpyrimidin-2-one?
The canonical SMILES for 1-methyl-5-piperidin-4-ylpyrimidin-2-one is Cn1cc(C2CCNCC2)cnc1=O.
What is the InChIKey of 1-methyl-5-piperidin-4-ylpyrimidin-2-one?
The InChIKey is HBRGCNTZEUJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-7-9(6-12-10(13)14)8-2-4-11-5-3-8/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-methyl-5-piperidin-4-ylpyrimidin-2-one?
1-methyl-5-piperidin-4-ylpyrimidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-piperidin-4-ylpyrimidin-2-one is sourced from PubChem (CID 59627424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).