6-amino-2,3-dimethylpyrimidin-4-one

C6H9N3O — CID 12778112

IUPAC6-amino-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(N)cc(=O)n1C
InChIInChI=1S/C6H9N3O/c1-4-8-5(7)3-6(10)9(4)2/h3H,7H2,1-2H3
InChIKeyULTATQBHJFHKBR-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.33
Rot. Bonds

About 6-amino-2,3-dimethylpyrimidin-4-one

6-amino-2,3-dimethylpyrimidin-4-one (PubChem CID 12778112) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-amino-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-2,3-dimethylpyrimidin-4-one
PubChem CID12778112
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6-amino-2,3-dimethylpyrimidin-4-one
SMILESCc1nc(N)cc(=O)n1C
InChIInChI=1S/C6H9N3O/c1-4-8-5(7)3-6(10)9(4)2/h3H,7H2,1-2H3
InChIKeyULTATQBHJFHKBR-UHFFFAOYSA-N
XLogP-0.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 6-amino-2,3-dimethylpyrimidin-4-one (CID 12778112) is 6-amino-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 6-amino-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 6-amino-2,3-dimethylpyrimidin-4-one is Cc1nc(N)cc(=O)n1C.
What is the InChIKey of 6-amino-2,3-dimethylpyrimidin-4-one?
The InChIKey is ULTATQBHJFHKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-8-5(7)3-6(10)9(4)2/h3H,7H2,1-2H3.
What are the key properties of 6-amino-2,3-dimethylpyrimidin-4-one?
6-amino-2,3-dimethylpyrimidin-4-one has a molecular weight of 139.16 g/mol, XLogP of -0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 12778112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).