4-amino-1H-pyrimidin-6-one

C4H5N3O — CID 135431272

IUPAC4-amino-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]cn1
InChIInChI=1S/C4H5N3O/c5-3-1-4(8)7-2-6-3/h1-2H,(H3,5,6,7,8)
InChIKeyHFMLLTVIMFEQRE-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.65
Rot. Bonds

About 4-amino-1H-pyrimidin-6-one

4-amino-1H-pyrimidin-6-one (PubChem CID 135431272) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 4-amino-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-1H-pyrimidin-6-one
PubChem CID135431272
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name4-amino-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]cn1
InChIInChI=1S/C4H5N3O/c5-3-1-4(8)7-2-6-3/h1-2H,(H3,5,6,7,8)
InChIKeyHFMLLTVIMFEQRE-UHFFFAOYSA-N
XLogP-0.65
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-1H-pyrimidin-6-one (CID 135431272) is 4-amino-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-1H-pyrimidin-6-one is Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-amino-1H-pyrimidin-6-one?
The InChIKey is HFMLLTVIMFEQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c5-3-1-4(8)7-2-6-3/h1-2H,(H3,5,6,7,8).
What are the key properties of 4-amino-1H-pyrimidin-6-one?
4-amino-1H-pyrimidin-6-one has a molecular weight of 111.10 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-pyrimidin-6-one is sourced from PubChem (CID 135431272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).