6-amino-3-methylpyrimidin-4-one

C5H7N3O — CID 580359

IUPAC6-amino-3-methylpyrimidin-4-one
SMILESCn1cnc(N)cc1=O
InChIInChI=1S/C5H7N3O/c1-8-3-7-4(6)2-5(8)9/h2-3H,6H2,1H3
InChIKeyKSRSEUOJMZPSFL-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.64
Rot. Bonds

About 6-amino-3-methylpyrimidin-4-one

6-amino-3-methylpyrimidin-4-one (PubChem CID 580359) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 6-amino-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-methylpyrimidin-4-one
PubChem CID580359
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name6-amino-3-methylpyrimidin-4-one
SMILESCn1cnc(N)cc1=O
InChIInChI=1S/C5H7N3O/c1-8-3-7-4(6)2-5(8)9/h2-3H,6H2,1H3
InChIKeyKSRSEUOJMZPSFL-UHFFFAOYSA-N
XLogP-0.64
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methylpyrimidin-4-one?
The IUPAC name of 6-amino-3-methylpyrimidin-4-one (CID 580359) is 6-amino-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-amino-3-methylpyrimidin-4-one?
The canonical SMILES for 6-amino-3-methylpyrimidin-4-one is Cn1cnc(N)cc1=O.
What is the InChIKey of 6-amino-3-methylpyrimidin-4-one?
The InChIKey is KSRSEUOJMZPSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-8-3-7-4(6)2-5(8)9/h2-3H,6H2,1H3.
What are the key properties of 6-amino-3-methylpyrimidin-4-one?
6-amino-3-methylpyrimidin-4-one has a molecular weight of 125.13 g/mol, XLogP of -0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methylpyrimidin-4-one is sourced from PubChem (CID 580359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).