5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one

C11H11N3O — CID 126857591

IUPAC5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one
SMILESCc1cncn(Cc2ccncc2)c1=O
InChIInChI=1S/C11H11N3O/c1-9-6-13-8-14(11(9)15)7-10-2-4-12-5-3-10/h2-6,8H,7H2,1H3
InChIKeySZAVADFGGACPAM-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.00
Rot. Bonds2

About 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one

5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one (PubChem CID 126857591) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one
PubChem CID126857591
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one
SMILESCc1cncn(Cc2ccncc2)c1=O
InChIInChI=1S/C11H11N3O/c1-9-6-13-8-14(11(9)15)7-10-2-4-12-5-3-10/h2-6,8H,7H2,1H3
InChIKeySZAVADFGGACPAM-UHFFFAOYSA-N
XLogP1.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one (CID 126857591) is 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one is Cc1cncn(Cc2ccncc2)c1=O.
What is the InChIKey of 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one?
The InChIKey is SZAVADFGGACPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-9-6-13-8-14(11(9)15)7-10-2-4-12-5-3-10/h2-6,8H,7H2,1H3.
What are the key properties of 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one?
5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one has a molecular weight of 201.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(pyridin-4-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 126857591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).