4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide

C9H11Cl2N3O2 — CID 114583147

IUPAC4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-12-6(15)3-2-4-14-5-13-8(11)7(10)9(14)16/h5H,2-4H2,1H3,(H,12,15)
InChIKeyAJYQMXNQAKTQAL-UHFFFAOYSA-N
MW264.11 g/mol
LogP1.08
Rot. Bonds4

About 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide

4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide (PubChem CID 114583147) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
PubChem CID114583147
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Name4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H11Cl2N3O2/c1-12-6(15)3-2-4-14-5-13-8(11)7(10)9(14)16/h5H,2-4H2,1H3,(H,12,15)
InChIKeyAJYQMXNQAKTQAL-UHFFFAOYSA-N
XLogP1.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide 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

4-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N-methylbutanamide
CID 114585353
4-(3-chloro-2-oxopyrazin-1-yl)-N-methylbutanamide
CID 114561776
5,6-dichloro-3-(5-hydroxypentyl)pyrimidin-4-one
CID 114583119
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583232
3-(4,5-dichloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114583185
N-cyclopropyl-3-(4,5-dichloro-6-oxopyrimidin-1-yl)propanamide
CID 114583075
5,6-dichloro-3-(3-chloro-2-methylprop-2-enyl)pyrimidin-4-one
CID 106439753
5,6-dichloro-3-(2-methoxyethyl)pyrimidin-4-one
CID 114583146
5,6-dichloro-3-pent-3-ynylpyrimidin-4-one
CID 114583206
N-carbamoyl-2-(4,5-dichloro-6-oxopyrimidin-1-yl)acetamide
CID 114582909
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 114583240
3-(5-bromo-4-methyl-6-oxopyrimidin-1-yl)-N-methylpropanamide
CID 66308140

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide (CID 114583147) is 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide is CNC(=O)CCCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
The InChIKey is AJYQMXNQAKTQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O2/c1-12-6(15)3-2-4-14-5-13-8(11)7(10)9(14)16/h5H,2-4H2,1H3,(H,12,15).
What are the key properties of 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide?
4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide has a molecular weight of 264.11 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 114583147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).