1-acetyl-4-aminopyrimidin-2-one;methane

C7H11N3O2 — CID 174689479

IUPAC1-acetyl-4-aminopyrimidin-2-one;methane
SMILESC.CC(=O)n1ccc(N)nc1=O
InChIInChI=1S/C6H7N3O2.CH4/c1-4(10)9-3-2-5(7)8-6(9)11;/h2-3H,1H3,(H2,7,8,11);1H4
InChIKeyFOWVIYBKIAGZDQ-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.12
Rot. Bonds

About 1-acetyl-4-aminopyrimidin-2-one;methane

1-acetyl-4-aminopyrimidin-2-one;methane (PubChem CID 174689479) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-acetyl-4-aminopyrimidin-2-one;methane.

Molecular Properties

Compound Name1-acetyl-4-aminopyrimidin-2-one;methane
PubChem CID174689479
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-acetyl-4-aminopyrimidin-2-one;methane
SMILESC.CC(=O)n1ccc(N)nc1=O
InChIInChI=1S/C6H7N3O2.CH4/c1-4(10)9-3-2-5(7)8-6(9)11;/h2-3H,1H3,(H2,7,8,11);1H4
InChIKeyFOWVIYBKIAGZDQ-UHFFFAOYSA-N
XLogP0.12
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-aminopyrimidin-2-one;methane?
The IUPAC name of 1-acetyl-4-aminopyrimidin-2-one;methane (CID 174689479) is 1-acetyl-4-aminopyrimidin-2-one;methane.
What is the SMILES notation for 1-acetyl-4-aminopyrimidin-2-one;methane?
The canonical SMILES for 1-acetyl-4-aminopyrimidin-2-one;methane is C.CC(=O)n1ccc(N)nc1=O.
What is the InChIKey of 1-acetyl-4-aminopyrimidin-2-one;methane?
The InChIKey is FOWVIYBKIAGZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2.CH4/c1-4(10)9-3-2-5(7)8-6(9)11;/h2-3H,1H3,(H2,7,8,11);1H4.
What are the key properties of 1-acetyl-4-aminopyrimidin-2-one;methane?
1-acetyl-4-aminopyrimidin-2-one;methane has a molecular weight of 169.18 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-aminopyrimidin-2-one;methane is sourced from PubChem (CID 174689479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).