1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one

C14H17N3O — CID 16782206

IUPAC1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2cccc(CN)c2)c(=O)n1
InChIInChI=1S/C14H17N3O/c1-10-6-11(2)17(14(18)16-10)9-13-5-3-4-12(7-13)8-15/h3-7H,8-9,15H2,1-2H3
InChIKeyYSCAWPHAZXARSA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.37
Rot. Bonds3

About 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one

1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 16782206) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one
PubChem CID16782206
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2cccc(CN)c2)c(=O)n1
InChIInChI=1S/C14H17N3O/c1-10-6-11(2)17(14(18)16-10)9-13-5-3-4-12(7-13)8-15/h3-7H,8-9,15H2,1-2H3
InChIKeyYSCAWPHAZXARSA-UHFFFAOYSA-N
XLogP1.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one (CID 16782206) is 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(Cc2cccc(CN)c2)c(=O)n1.
What is the InChIKey of 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is YSCAWPHAZXARSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-11(2)17(14(18)16-10)9-13-5-3-4-12(7-13)8-15/h3-7H,8-9,15H2,1-2H3.
What are the key properties of 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one?
1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(aminomethyl)phenyl]methyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 16782206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).