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

C8H10ClN3O2 — CID 114582025

IUPAC3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCC(Cn1cnc(Cl)cc1=O)C(N)=O
InChIInChI=1S/C8H10ClN3O2/c1-5(8(10)14)3-12-4-11-6(9)2-7(12)13/h2,4-5H,3H2,1H3,(H2,10,14)
InChIKeyXAOSAEZHIKNOLR-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.02
Rot. Bonds3

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

3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide (PubChem CID 114582025) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
PubChem CID114582025
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCC(Cn1cnc(Cl)cc1=O)C(N)=O
InChIInChI=1S/C8H10ClN3O2/c1-5(8(10)14)3-12-4-11-6(9)2-7(12)13/h2,4-5H,3H2,1H3,(H2,10,14)
InChIKeyXAOSAEZHIKNOLR-UHFFFAOYSA-N
XLogP0.02
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Chloro-3-(2-methylpropyl)pyrimidin-4-one
CID 112547284
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581667
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114581885
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114581887
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114581936
6-Chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582021
3-(4-Chloro-6-oxopyrimidin-1-yl)propanamide
CID 114582093
3-(4-chloro-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
CID 114582208
6-Chloro-3-(3-methylbutyl)pyrimidin-4-one
CID 114582241
4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114582283
3-(4-chloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114582325

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide (CID 114582025) is 3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide is CC(Cn1cnc(Cl)cc1=O)C(N)=O.
What is the InChIKey of 3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The InChIKey is XAOSAEZHIKNOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5(8(10)14)3-12-4-11-6(9)2-7(12)13/h2,4-5H,3H2,1H3,(H2,10,14).
What are the key properties of 3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide has a molecular weight of 215.64 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 114582025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).