6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one

C7H10N4O — CID 18970222

IUPAC6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one
SMILESNC/C=C/c1cnc(=O)[nH]c1N
InChIInChI=1S/C7H10N4O/c8-3-1-2-5-4-10-7(12)11-6(5)9/h1-2,4H,3,8H2,(H3,9,10,11,12)/b2-1+
InChIKeyGZPBPCALOSCXDB-OWOJBTEDSA-N
MW166.18 g/mol
LogP-0.68
Rot. Bonds2

About 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one

6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one (PubChem CID 18970222) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one
PubChem CID18970222
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one
SMILESNC/C=C/c1cnc(=O)[nH]c1N
InChIInChI=1S/C7H10N4O/c8-3-1-2-5-4-10-7(12)11-6(5)9/h1-2,4H,3,8H2,(H3,9,10,11,12)/b2-1+
InChIKeyGZPBPCALOSCXDB-OWOJBTEDSA-N
XLogP-0.68
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one 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-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one (CID 18970222) is 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one is NC/C=C/c1cnc(=O)[nH]c1N.
What is the InChIKey of 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one?
The InChIKey is GZPBPCALOSCXDB-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H10N4O/c8-3-1-2-5-4-10-7(12)11-6(5)9/h1-2,4H,3,8H2,(H3,9,10,11,12)/b2-1+.
What are the key properties of 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one?
6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one has a molecular weight of 166.18 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(E)-3-aminoprop-1-enyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 18970222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).