3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide

C8H11ClN4O2 — CID 114582464

IUPAC3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCC(Cn1cnc(Cl)c(N)c1=O)C(N)=O
InChIInChI=1S/C8H11ClN4O2/c1-4(7(11)14)2-13-3-12-6(9)5(10)8(13)15/h3-4H,2,10H2,1H3,(H2,11,14)
InChIKeyVKLDOEPAHWTEPH-UHFFFAOYSA-N
MW230.66 g/mol
LogP-0.40
Rot. Bonds3

About 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide

3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide (PubChem CID 114582464) has the molecular formula C8H11ClN4O2 and a molecular weight of 230.66 g/mol. Its IUPAC name is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
PubChem CID114582464
Molecular FormulaC8H11ClN4O2
Molecular Weight230.66 g/mol
Exact Mass230.06
IUPAC Name3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCC(Cn1cnc(Cl)c(N)c1=O)C(N)=O
InChIInChI=1S/C8H11ClN4O2/c1-4(7(11)14)2-13-3-12-6(9)5(10)8(13)15/h3-4H,2,10H2,1H3,(H2,11,14)
InChIKeyVKLDOEPAHWTEPH-UHFFFAOYSA-N
XLogP-0.40
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide 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

2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604252
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butylpropanamide
CID 113604264
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
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604275
3-(4-Chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582025
5-Amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582460
2-(5-Amino-4-chloro-6-oxopyrimidin-1-yl)propanamide
CID 114582492
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 114582496
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114582497
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114582499
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N-butan-2-ylacetamide
CID 114582526

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide (CID 114582464) is 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide is CC(Cn1cnc(Cl)c(N)c1=O)C(N)=O.
What is the InChIKey of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The InChIKey is VKLDOEPAHWTEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O2/c1-4(7(11)14)2-13-3-12-6(9)5(10)8(13)15/h3-4H,2,10H2,1H3,(H2,11,14).
What are the key properties of 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide has a molecular weight of 230.66 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 114582464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).