5-amino-3-butan-2-yl-6-chloropyrimidin-4-one

C8H12ClN3O — CID 114582643

IUPAC5-amino-3-butan-2-yl-6-chloropyrimidin-4-one
SMILESCCC(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H12ClN3O/c1-3-5(2)12-4-11-7(9)6(10)8(12)13/h4-5H,3,10H2,1-2H3
InChIKeyOGVGMDKNORWQIY-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.45
Rot. Bonds2

About 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one

5-amino-3-butan-2-yl-6-chloropyrimidin-4-one (PubChem CID 114582643) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-butan-2-yl-6-chloropyrimidin-4-one
PubChem CID114582643
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name5-amino-3-butan-2-yl-6-chloropyrimidin-4-one
SMILESCCC(C)n1cnc(Cl)c(N)c1=O
InChIInChI=1S/C8H12ClN3O/c1-3-5(2)12-4-11-7(9)6(10)8(12)13/h4-5H,3,10H2,1-2H3
InChIKeyOGVGMDKNORWQIY-UHFFFAOYSA-N
XLogP1.45
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-butan-2-yl-6-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 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one?
The IUPAC name of 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one (CID 114582643) is 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one.
What is the SMILES notation for 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one?
The canonical SMILES for 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one is CCC(C)n1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one?
The InChIKey is OGVGMDKNORWQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-3-5(2)12-4-11-7(9)6(10)8(12)13/h4-5H,3,10H2,1-2H3.
What are the key properties of 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one?
5-amino-3-butan-2-yl-6-chloropyrimidin-4-one has a molecular weight of 201.66 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-butan-2-yl-6-chloropyrimidin-4-one is sourced from PubChem (CID 114582643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).