5-amino-3-prop-2-enylpyrimidin-4-one

C7H9N3O — CID 22943392

IUPAC5-amino-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1cncc(N)c1=O
InChIInChI=1S/C7H9N3O/c1-2-3-10-5-9-4-6(8)7(10)11/h2,4-5H,1,3,8H2
InChIKeyUPRBYTCTDFPLTP-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.01
Rot. Bonds2

About 5-amino-3-prop-2-enylpyrimidin-4-one

5-amino-3-prop-2-enylpyrimidin-4-one (PubChem CID 22943392) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-amino-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-prop-2-enylpyrimidin-4-one
PubChem CID22943392
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-amino-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1cncc(N)c1=O
InChIInChI=1S/C7H9N3O/c1-2-3-10-5-9-4-6(8)7(10)11/h2,4-5H,1,3,8H2
InChIKeyUPRBYTCTDFPLTP-UHFFFAOYSA-N
XLogP0.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 5-amino-3-prop-2-enylpyrimidin-4-one (CID 22943392) is 5-amino-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 5-amino-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 5-amino-3-prop-2-enylpyrimidin-4-one is C=CCn1cncc(N)c1=O.
What is the InChIKey of 5-amino-3-prop-2-enylpyrimidin-4-one?
The InChIKey is UPRBYTCTDFPLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-3-10-5-9-4-6(8)7(10)11/h2,4-5H,1,3,8H2.
What are the key properties of 5-amino-3-prop-2-enylpyrimidin-4-one?
5-amino-3-prop-2-enylpyrimidin-4-one has a molecular weight of 151.17 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 22943392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).