2-amino-1H-pyrimidin-6-one

C8H10N6O2 — CID 139071780

IUPAC2-amino-1H-pyrimidin-6-one
SMILESNc1nccc(=O)[nH]1.Nc1nccc(=O)[nH]1
InChIInChI=1S/2C4H5N3O/c2*5-4-6-2-1-3(8)7-4/h2*1-2H,(H3,5,6,7,8)
InChIKeyKRSBWXREJUWNBF-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.30
Rot. Bonds

About 2-amino-1H-pyrimidin-6-one

2-amino-1H-pyrimidin-6-one (PubChem CID 139071780) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-amino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-1H-pyrimidin-6-one
PubChem CID139071780
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name2-amino-1H-pyrimidin-6-one
SMILESNc1nccc(=O)[nH]1.Nc1nccc(=O)[nH]1
InChIInChI=1S/2C4H5N3O/c2*5-4-6-2-1-3(8)7-4/h2*1-2H,(H3,5,6,7,8)
InChIKeyKRSBWXREJUWNBF-UHFFFAOYSA-N
XLogP-1.30
TPSA143.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-1H-pyrimidin-6-one (CID 139071780) is 2-amino-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-1H-pyrimidin-6-one is Nc1nccc(=O)[nH]1.Nc1nccc(=O)[nH]1.
What is the InChIKey of 2-amino-1H-pyrimidin-6-one?
The InChIKey is KRSBWXREJUWNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5N3O/c2*5-4-6-2-1-3(8)7-4/h2*1-2H,(H3,5,6,7,8).
What are the key properties of 2-amino-1H-pyrimidin-6-one?
2-amino-1H-pyrimidin-6-one has a molecular weight of 222.21 g/mol, XLogP of -1.30, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1H-pyrimidin-6-one is sourced from PubChem (CID 139071780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).