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

C4H7N3O2 — CID 57461243

IUPAC6-amino-1H-pyrimidin-2-one;hydrate
SMILESNc1ccnc(=O)[nH]1.O
InChIInChI=1S/C4H5N3O.H2O/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);1H2
InChIKeyXQZAYGWDRJTKRV-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.47
Rot. Bonds

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

6-amino-1H-pyrimidin-2-one;hydrate (PubChem CID 57461243) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 6-amino-1H-pyrimidin-2-one;hydrate.

Molecular Properties

Compound Name6-amino-1H-pyrimidin-2-one;hydrate
PubChem CID57461243
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name6-amino-1H-pyrimidin-2-one;hydrate
SMILESNc1ccnc(=O)[nH]1.O
InChIInChI=1S/C4H5N3O.H2O/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);1H2
InChIKeyXQZAYGWDRJTKRV-UHFFFAOYSA-N
XLogP-1.47
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1H-pyrimidin-2-one;hydrate?
The IUPAC name of 6-amino-1H-pyrimidin-2-one;hydrate (CID 57461243) is 6-amino-1H-pyrimidin-2-one;hydrate.
What is the SMILES notation for 6-amino-1H-pyrimidin-2-one;hydrate?
The canonical SMILES for 6-amino-1H-pyrimidin-2-one;hydrate is Nc1ccnc(=O)[nH]1.O.
What is the InChIKey of 6-amino-1H-pyrimidin-2-one;hydrate?
The InChIKey is XQZAYGWDRJTKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O.H2O/c5-3-1-2-6-4(8)7-3;/h1-2H,(H3,5,6,7,8);1H2.
What are the key properties of 6-amino-1H-pyrimidin-2-one;hydrate?
6-amino-1H-pyrimidin-2-one;hydrate has a molecular weight of 129.12 g/mol, XLogP of -1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1H-pyrimidin-2-one;hydrate is sourced from PubChem (CID 57461243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).