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

C13H16N4O — CID 63768643

IUPAC3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cccnc2CN)c(C)n1
InChIInChI=1S/C13H16N4O/c1-9-6-13(18)17(10(2)16-9)8-11-4-3-5-15-12(11)7-14/h3-6H,7-8,14H2,1-2H3
InChIKeyUKZRVGJPTPOHHT-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.76
Rot. Bonds3

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

3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63768643) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63768643
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cccnc2CN)c(C)n1
InChIInChI=1S/C13H16N4O/c1-9-6-13(18)17(10(2)16-9)8-11-4-3-5-15-12(11)7-14/h3-6H,7-8,14H2,1-2H3
InChIKeyUKZRVGJPTPOHHT-UHFFFAOYSA-N
XLogP0.76
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one (CID 63768643) is 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(Cc2cccnc2CN)c(C)n1.
What is the InChIKey of 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is UKZRVGJPTPOHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-6-13(18)17(10(2)16-9)8-11-4-3-5-15-12(11)7-14/h3-6H,7-8,14H2,1-2H3.
What are the key properties of 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one?
3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 244.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-3-pyridinyl]methyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63768643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).