4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide

C9H12ClN3O2 — CID 114582283

IUPAC4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-11-8(14)3-2-4-13-6-12-7(10)5-9(13)15/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyKRLOVGMKTTXJIA-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.42
Rot. Bonds4

About 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide

4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide (PubChem CID 114582283) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
PubChem CID114582283
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(Cl)cc1=O
InChIInChI=1S/C9H12ClN3O2/c1-11-8(14)3-2-4-13-6-12-7(10)5-9(13)15/h5-6H,2-4H2,1H3,(H,11,14)
InChIKeyKRLOVGMKTTXJIA-UHFFFAOYSA-N
XLogP0.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114581852
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 114581885
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114581936
3-(4-Chloro-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114582025
2-(4-chloro-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114582059
N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)acetamide
CID 114582086
3-(4-Chloro-6-oxopyrimidin-1-yl)propanamide
CID 114582093
2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 114582100
N-butan-2-yl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
CID 114582105
2-(4-chloro-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114582109
4-(4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylbutanamide
CID 114582113
N-butyl-2-(4-chloro-6-oxopyrimidin-1-yl)propanamide
CID 114582150

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide (CID 114582283) is 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide is CNC(=O)CCCn1cnc(Cl)cc1=O.
What is the InChIKey of 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The InChIKey is KRLOVGMKTTXJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-11-8(14)3-2-4-13-6-12-7(10)5-9(13)15/h5-6H,2-4H2,1H3,(H,11,14).
What are the key properties of 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide has a molecular weight of 229.67 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-oxopyrimidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 114582283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).