6-amino-3-butyl-5-chloropyrimidin-4-one

C8H12ClN3O — CID 122155177

IUPAC6-amino-3-butyl-5-chloropyrimidin-4-one
SMILESCCCCn1cnc(N)c(Cl)c1=O
InChIInChI=1S/C8H12ClN3O/c1-2-3-4-12-5-11-7(10)6(9)8(12)13/h5H,2-4,10H2,1H3
InChIKeyROXXDXUFKKOTHW-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.28
Rot. Bonds3

About 6-amino-3-butyl-5-chloropyrimidin-4-one

6-amino-3-butyl-5-chloropyrimidin-4-one (PubChem CID 122155177) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-amino-3-butyl-5-chloropyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3-butyl-5-chloropyrimidin-4-one
PubChem CID122155177
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name6-amino-3-butyl-5-chloropyrimidin-4-one
SMILESCCCCn1cnc(N)c(Cl)c1=O
InChIInChI=1S/C8H12ClN3O/c1-2-3-4-12-5-11-7(10)6(9)8(12)13/h5H,2-4,10H2,1H3
InChIKeyROXXDXUFKKOTHW-UHFFFAOYSA-N
XLogP1.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-3-butyl-5-chloropyrimidin-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-3-butyl-5-chloropyrimidin-4-one?
The IUPAC name of 6-amino-3-butyl-5-chloropyrimidin-4-one (CID 122155177) is 6-amino-3-butyl-5-chloropyrimidin-4-one.
What is the SMILES notation for 6-amino-3-butyl-5-chloropyrimidin-4-one?
The canonical SMILES for 6-amino-3-butyl-5-chloropyrimidin-4-one is CCCCn1cnc(N)c(Cl)c1=O.
What is the InChIKey of 6-amino-3-butyl-5-chloropyrimidin-4-one?
The InChIKey is ROXXDXUFKKOTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-2-3-4-12-5-11-7(10)6(9)8(12)13/h5H,2-4,10H2,1H3.
What are the key properties of 6-amino-3-butyl-5-chloropyrimidin-4-one?
6-amino-3-butyl-5-chloropyrimidin-4-one has a molecular weight of 201.66 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-butyl-5-chloropyrimidin-4-one is sourced from PubChem (CID 122155177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).