6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate

C9H14N6O3 — CID 175300459

IUPAC6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate
SMILESCc1cnc(=O)[nH]c1N.Nc1ccnc(=O)[nH]1.O
InChIInChI=1S/C5H7N3O.C4H5N3O.H2O/c1-3-2-7-5(9)8-4(3)6;5-3-1-2-6-4(8)7-3;/h2H,1H3,(H3,6,7,8,9);1-2H,(H3,5,6,7,8);1H2
InChIKeyJOPIQZICJYFICL-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.81
Rot. Bonds

About 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate

6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate (PubChem CID 175300459) has the molecular formula C9H14N6O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate.

Molecular Properties

Compound Name6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate
PubChem CID175300459
Molecular FormulaC9H14N6O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate
SMILESCc1cnc(=O)[nH]c1N.Nc1ccnc(=O)[nH]1.O
InChIInChI=1S/C5H7N3O.C4H5N3O.H2O/c1-3-2-7-5(9)8-4(3)6;5-3-1-2-6-4(8)7-3;/h2H,1H3,(H3,6,7,8,9);1-2H,(H3,5,6,7,8);1H2
InChIKeyJOPIQZICJYFICL-UHFFFAOYSA-N
XLogP-1.81
TPSA175.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate?
The IUPAC name of 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate (CID 175300459) is 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate.
What is the SMILES notation for 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate?
The canonical SMILES for 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate is Cc1cnc(=O)[nH]c1N.Nc1ccnc(=O)[nH]1.O.
What is the InChIKey of 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate?
The InChIKey is JOPIQZICJYFICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C4H5N3O.H2O/c1-3-2-7-5(9)8-4(3)6;5-3-1-2-6-4(8)7-3;/h2H,1H3,(H3,6,7,8,9);1-2H,(H3,5,6,7,8);1H2.
What are the key properties of 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate?
6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate has a molecular weight of 254.25 g/mol, XLogP of -1.81, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate is sourced from PubChem (CID 175300459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).