4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one

C10H16N4O — CID 118067941

IUPAC4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(/C=C/CN)c(N)nc1=O
InChIInChI=1S/C10H16N4O/c1-7(2)14-6-8(4-3-5-11)9(12)13-10(14)15/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,15)/b4-3+
InChIKeyIXQPBAMWSGTXGQ-ONEGZZNKSA-N
MW208.26 g/mol
LogP0.38
Rot. Bonds3

About 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one

4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one (PubChem CID 118067941) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one
PubChem CID118067941
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one
SMILESCC(C)n1cc(/C=C/CN)c(N)nc1=O
InChIInChI=1S/C10H16N4O/c1-7(2)14-6-8(4-3-5-11)9(12)13-10(14)15/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,15)/b4-3+
InChIKeyIXQPBAMWSGTXGQ-ONEGZZNKSA-N
XLogP0.38
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-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

Related Compounds

4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one
CID 167120999
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-(4-hydroxy-5-methyloxolan-2-yl)pyrimidin-2-one
CID 143552213
4-amino-5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidin-2-one
CID 169267146
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418551
4-amino-5-(3-aminoprop-1-enyl)-1-[4-hydroxy-5-(tritiophosphanyloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 90974054
4-amino-1-butan-2-yl-5-methylpyrimidin-2-one
CID 163974797
2-[4-amino-2-oxo-5-[(E)-3-(2,2,2-trifluoroethylsulfonylamino)prop-1-enyl]pyrimidin-1-yl]acetic acid
CID 118142872
4-amino-5-methyl-1-pentan-3-ylpyrimidin-2-one
CID 139417097
4-amino-5-but-1-enyl-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 91349371
5-ethyl-4-(methylamino)-1-propan-2-ylpyrimidin-2-one
CID 164872350
3-amino-5-chloro-1-propan-2-ylpyrazin-2-one
CID 55270264
4-amino-5-[(E)-2-cyclopropylethenyl]-1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 157479702

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one?
The IUPAC name of 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one (CID 118067941) is 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one.
What is the SMILES notation for 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one?
The canonical SMILES for 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one is CC(C)n1cc(/C=C/CN)c(N)nc1=O.
What is the InChIKey of 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one?
The InChIKey is IXQPBAMWSGTXGQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)14-6-8(4-3-5-11)9(12)13-10(14)15/h3-4,6-7H,5,11H2,1-2H3,(H2,12,13,15)/b4-3+.
What are the key properties of 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one?
4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(E)-3-aminoprop-1-enyl]-1-propan-2-ylpyrimidin-2-one is sourced from PubChem (CID 118067941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).