3-amino-1-methyl-4H-pyrimidin-2-one

C5H9N3O — CID 162786175

IUPAC3-amino-1-methyl-4H-pyrimidin-2-one
SMILESCN1C=CCN(N)C1=O
InChIInChI=1S/C5H9N3O/c1-7-3-2-4-8(6)5(7)9/h2-3H,4,6H2,1H3
InChIKeyFVVNZUYZUHIZJM-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.26
Rot. Bonds

About 3-amino-1-methyl-4H-pyrimidin-2-one

3-amino-1-methyl-4H-pyrimidin-2-one (PubChem CID 162786175) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 3-amino-1-methyl-4H-pyrimidin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-4H-pyrimidin-2-one
PubChem CID162786175
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name3-amino-1-methyl-4H-pyrimidin-2-one
SMILESCN1C=CCN(N)C1=O
InChIInChI=1S/C5H9N3O/c1-7-3-2-4-8(6)5(7)9/h2-3H,4,6H2,1H3
InChIKeyFVVNZUYZUHIZJM-UHFFFAOYSA-N
XLogP-0.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-4H-pyrimidin-2-one?
The IUPAC name of 3-amino-1-methyl-4H-pyrimidin-2-one (CID 162786175) is 3-amino-1-methyl-4H-pyrimidin-2-one.
What is the SMILES notation for 3-amino-1-methyl-4H-pyrimidin-2-one?
The canonical SMILES for 3-amino-1-methyl-4H-pyrimidin-2-one is CN1C=CCN(N)C1=O.
What is the InChIKey of 3-amino-1-methyl-4H-pyrimidin-2-one?
The InChIKey is FVVNZUYZUHIZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-7-3-2-4-8(6)5(7)9/h2-3H,4,6H2,1H3.
What are the key properties of 3-amino-1-methyl-4H-pyrimidin-2-one?
3-amino-1-methyl-4H-pyrimidin-2-one has a molecular weight of 127.15 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-4H-pyrimidin-2-one is sourced from PubChem (CID 162786175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).