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

C6H9N3O — CID 586932

IUPAC2-amino-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(N)n1
InChIInChI=1S/C6H9N3O/c1-4-3-5(10)9(2)6(7)8-4/h3H,1-2H3,(H2,7,8)
InChIKeyQHBNWVXJNYHDIW-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.33
Rot. Bonds

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

2-amino-3,6-dimethylpyrimidin-4-one (PubChem CID 586932) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-amino-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethylpyrimidin-4-one
PubChem CID586932
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-amino-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(N)n1
InChIInChI=1S/C6H9N3O/c1-4-3-5(10)9(2)6(7)8-4/h3H,1-2H3,(H2,7,8)
InChIKeyQHBNWVXJNYHDIW-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 2-amino-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethylpyrimidin-4-one (CID 586932) is 2-amino-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C)c(N)n1.
What is the InChIKey of 2-amino-3,6-dimethylpyrimidin-4-one?
The InChIKey is QHBNWVXJNYHDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-3-5(10)9(2)6(7)8-4/h3H,1-2H3,(H2,7,8).
What are the key properties of 2-amino-3,6-dimethylpyrimidin-4-one?
2-amino-3,6-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 2-amino-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 586932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).