3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide

C8H9Cl2N3O2 — CID 114582894

IUPAC3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCC(Cn1cnc(Cl)c(Cl)c1=O)C(N)=O
InChIInChI=1S/C8H9Cl2N3O2/c1-4(7(11)14)2-13-3-12-6(10)5(9)8(13)15/h3-4H,2H2,1H3,(H2,11,14)
InChIKeyNJGSGPIABKWWDC-UHFFFAOYSA-N
MW250.08 g/mol
LogP0.67
Rot. Bonds3

About 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide

3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide (PubChem CID 114582894) has the molecular formula C8H9Cl2N3O2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
PubChem CID114582894
Molecular FormulaC8H9Cl2N3O2
Molecular Weight250.08 g/mol
Exact Mass249.01
IUPAC Name3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
SMILESCC(Cn1cnc(Cl)c(Cl)c1=O)C(N)=O
InChIInChI=1S/C8H9Cl2N3O2/c1-4(7(11)14)2-13-3-12-6(10)5(9)8(13)15/h3-4H,2H2,1H3,(H2,11,14)
InChIKeyNJGSGPIABKWWDC-UHFFFAOYSA-N
XLogP0.67
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582025
3-(5-Amino-4-chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582464
5,6-Dichloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582889
3-(4,5-Dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114582962
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
5,6-Dichloro-3-(3-methylbutyl)pyrimidin-4-one
CID 114583107
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114583118
4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114583147
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114583184
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114583185
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
5,6-Dichloro-3-(2-methylpropyl)pyrimidin-4-one
CID 114583262

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The IUPAC name of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide (CID 114582894) is 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The canonical SMILES for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide is CC(Cn1cnc(Cl)c(Cl)c1=O)C(N)=O.
What is the InChIKey of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
The InChIKey is NJGSGPIABKWWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O2/c1-4(7(11)14)2-13-3-12-6(10)5(9)8(13)15/h3-4H,2H2,1H3,(H2,11,14).
What are the key properties of 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide?
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide has a molecular weight of 250.08 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloro-6-oxopyrimidin-1-yl)-2-methylpropanamide is sourced from PubChem (CID 114582894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).