5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one

C9H14ClN3O — CID 114582460

IUPAC5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
SMILESCCC(C)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H14ClN3O/c1-3-6(2)4-13-5-12-8(10)7(11)9(13)14/h5-6H,3-4,11H2,1-2H3
InChIKeyYQFRFISQIDIJSN-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.52
Rot. Bonds3

About 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one

5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one (PubChem CID 114582460) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
PubChem CID114582460
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
SMILESCCC(C)Cn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C9H14ClN3O/c1-3-6(2)4-13-5-12-8(10)7(11)9(13)14/h5-6H,3-4,11H2,1-2H3
InChIKeyYQFRFISQIDIJSN-UHFFFAOYSA-N
XLogP1.52
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-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

Related Compounds

5-Amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582585
5-Amino-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582822
5,6-Diamino-3-propylpyrimidin-4(3H)-one
CID 67076582
5-Amino-6-chloro-3-(3-methoxy-3-methylbutyl)pyrimidin-4-one
CID 103036362
5-Amino-6-chloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439752
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 113604268
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 113604274
5-Amino-6-chloro-3-decylpyrimidin-4-one
CID 113604298
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
CID 113604332
3-(5-Amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582464
5-Amino-6-chloro-3-pentylpyrimidin-4-one
CID 114582471

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one (CID 114582460) is 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one is CCC(C)Cn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one?
The InChIKey is YQFRFISQIDIJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-6(2)4-13-5-12-8(10)7(11)9(13)14/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one?
5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one has a molecular weight of 215.68 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one is sourced from PubChem (CID 114582460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).