1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one

C13H15N3O — CID 114217362

IUPAC1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one
SMILESCc1ccn(Cc2ccccc2CN)c(=O)n1
InChIInChI=1S/C13H15N3O/c1-10-6-7-16(13(17)15-10)9-12-5-3-2-4-11(12)8-14/h2-7H,8-9,14H2,1H3
InChIKeyAMAZSHPJRBJYIQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.06
Rot. Bonds3

About 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one

1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one (PubChem CID 114217362) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one
PubChem CID114217362
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one
SMILESCc1ccn(Cc2ccccc2CN)c(=O)n1
InChIInChI=1S/C13H15N3O/c1-10-6-7-16(13(17)15-10)9-12-5-3-2-4-11(12)8-14/h2-7H,8-9,14H2,1H3
InChIKeyAMAZSHPJRBJYIQ-UHFFFAOYSA-N
XLogP1.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one (CID 114217362) is 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one is Cc1ccn(Cc2ccccc2CN)c(=O)n1.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one?
The InChIKey is AMAZSHPJRBJYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-6-7-16(13(17)15-10)9-12-5-3-2-4-11(12)8-14/h2-7H,8-9,14H2,1H3.
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one?
1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]-4-methylpyrimidin-2-one is sourced from PubChem (CID 114217362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).