5-(aminomethyl)-2,3-dimethylpyrimidin-4-one

C7H11N3O — CID 83872659

IUPAC5-(aminomethyl)-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(CN)c(=O)n1C
InChIInChI=1S/C7H11N3O/c1-5-9-4-6(3-8)7(11)10(5)2/h4H,3,8H2,1-2H3
InChIKeyHJKZZIIWGIGZSU-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.45
Rot. Bonds1

About 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one

5-(aminomethyl)-2,3-dimethylpyrimidin-4-one (PubChem CID 83872659) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-dimethylpyrimidin-4-one
PubChem CID83872659
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name5-(aminomethyl)-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(CN)c(=O)n1C
InChIInChI=1S/C7H11N3O/c1-5-9-4-6(3-8)7(11)10(5)2/h4H,3,8H2,1-2H3
InChIKeyHJKZZIIWGIGZSU-UHFFFAOYSA-N
XLogP-0.45
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one (CID 83872659) is 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one is Cc1ncc(CN)c(=O)n1C.
What is the InChIKey of 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one?
The InChIKey is HJKZZIIWGIGZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-9-4-6(3-8)7(11)10(5)2/h4H,3,8H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one?
5-(aminomethyl)-2,3-dimethylpyrimidin-4-one has a molecular weight of 153.18 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 83872659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).