6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one

C9H14N4O — CID 145188187

IUPAC6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cnc(=O)c(/C=C\N)c1N
InChIInChI=1S/C9H14N4O/c1-6(2)13-5-12-9(14)7(3-4-10)8(13)11/h3-6H,10-11H2,1-2H3/b4-3-
InChIKeyMBFZNSFDIHMYOZ-ARJAWSKDSA-N
MW194.24 g/mol
LogP0.34
Rot. Bonds2

About 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one

6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one (PubChem CID 145188187) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one
PubChem CID145188187
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one
SMILESCC(C)n1cnc(=O)c(/C=C\N)c1N
InChIInChI=1S/C9H14N4O/c1-6(2)13-5-12-9(14)7(3-4-10)8(13)11/h3-6H,10-11H2,1-2H3/b4-3-
InChIKeyMBFZNSFDIHMYOZ-ARJAWSKDSA-N
XLogP0.34
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-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-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one (CID 145188187) is 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one is CC(C)n1cnc(=O)c(/C=C\N)c1N.
What is the InChIKey of 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one?
The InChIKey is MBFZNSFDIHMYOZ-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6(2)13-5-12-9(14)7(3-4-10)8(13)11/h3-6H,10-11H2,1-2H3/b4-3-.
What are the key properties of 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one?
6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one has a molecular weight of 194.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(Z)-2-aminoethenyl]-1-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 145188187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).