4-amino-1-methylpyrimidin-2-one;hydrate

C5H9N3O2 — CID 141401858

IUPAC4-amino-1-methylpyrimidin-2-one;hydrate
SMILESCn1ccc(N)nc1=O.O
InChIInChI=1S/C5H7N3O.H2O/c1-8-3-2-4(6)7-5(8)9;/h2-3H,1H3,(H2,6,7,9);1H2
InChIKeyUPBOXELZFGEEMW-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.46
Rot. Bonds

About 4-amino-1-methylpyrimidin-2-one;hydrate

4-amino-1-methylpyrimidin-2-one;hydrate (PubChem CID 141401858) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 4-amino-1-methylpyrimidin-2-one;hydrate.

Molecular Properties

Compound Name4-amino-1-methylpyrimidin-2-one;hydrate
PubChem CID141401858
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name4-amino-1-methylpyrimidin-2-one;hydrate
SMILESCn1ccc(N)nc1=O.O
InChIInChI=1S/C5H7N3O.H2O/c1-8-3-2-4(6)7-5(8)9;/h2-3H,1H3,(H2,6,7,9);1H2
InChIKeyUPBOXELZFGEEMW-UHFFFAOYSA-N
XLogP-1.46
TPSA92.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrimidin-2-one;hydrate?
The IUPAC name of 4-amino-1-methylpyrimidin-2-one;hydrate (CID 141401858) is 4-amino-1-methylpyrimidin-2-one;hydrate.
What is the SMILES notation for 4-amino-1-methylpyrimidin-2-one;hydrate?
The canonical SMILES for 4-amino-1-methylpyrimidin-2-one;hydrate is Cn1ccc(N)nc1=O.O.
What is the InChIKey of 4-amino-1-methylpyrimidin-2-one;hydrate?
The InChIKey is UPBOXELZFGEEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.H2O/c1-8-3-2-4(6)7-5(8)9;/h2-3H,1H3,(H2,6,7,9);1H2.
What are the key properties of 4-amino-1-methylpyrimidin-2-one;hydrate?
4-amino-1-methylpyrimidin-2-one;hydrate has a molecular weight of 143.15 g/mol, XLogP of -1.46, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrimidin-2-one;hydrate is sourced from PubChem (CID 141401858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).