6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate

C5H9N3O3 — CID 141368116

IUPAC6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate
SMILESNc1[nH]c(=O)ncc1CO.O
InChIInChI=1S/C5H7N3O2.H2O/c6-4-3(2-9)1-7-5(10)8-4;/h1,9H,2H2,(H3,6,7,8,10);1H2
InChIKeyPWZSWXQSWXHAPR-UHFFFAOYSA-N
MW159.15 g/mol
LogP-1.98
Rot. Bonds1

About 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate

6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate (PubChem CID 141368116) has the molecular formula C5H9N3O3 and a molecular weight of 159.15 g/mol. Its IUPAC name is 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate.

Molecular Properties

Compound Name6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate
PubChem CID141368116
Molecular FormulaC5H9N3O3
Molecular Weight159.15 g/mol
Exact Mass159.06
IUPAC Name6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate
SMILESNc1[nH]c(=O)ncc1CO.O
InChIInChI=1S/C5H7N3O2.H2O/c6-4-3(2-9)1-7-5(10)8-4;/h1,9H,2H2,(H3,6,7,8,10);1H2
InChIKeyPWZSWXQSWXHAPR-UHFFFAOYSA-N
XLogP-1.98
TPSA123.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate 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 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate?
The IUPAC name of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate (CID 141368116) is 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate.
What is the SMILES notation for 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate?
The canonical SMILES for 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate is Nc1[nH]c(=O)ncc1CO.O.
What is the InChIKey of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate?
The InChIKey is PWZSWXQSWXHAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.H2O/c6-4-3(2-9)1-7-5(10)8-4;/h1,9H,2H2,(H3,6,7,8,10);1H2.
What are the key properties of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate?
6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate has a molecular weight of 159.15 g/mol, XLogP of -1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;hydrate is sourced from PubChem (CID 141368116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).