2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide

C9H11ClN4O3 — CID 114582358

IUPAC2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C9H11ClN4O3/c1-5(8(16)13-9(17)11-2)14-4-12-6(10)3-7(14)15/h3-5H,1-2H3,(H2,11,13,16,17)
InChIKeyJWFMSFDXYZEKHT-UHFFFAOYSA-N
MW258.67 g/mol
LogP-0.09
Rot. Bonds2

About 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide

2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 114582358) has the molecular formula C9H11ClN4O3 and a molecular weight of 258.67 g/mol. Its IUPAC name is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
PubChem CID114582358
Molecular FormulaC9H11ClN4O3
Molecular Weight258.67 g/mol
Exact Mass258.05
IUPAC Name2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)n1cnc(Cl)cc1=O
InChIInChI=1S/C9H11ClN4O3/c1-5(8(16)13-9(17)11-2)14-4-12-6(10)3-7(14)15/h3-5H,1-2H3,(H2,11,13,16,17)
InChIKeyJWFMSFDXYZEKHT-UHFFFAOYSA-N
XLogP-0.09
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.67
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604177
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 113604243
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604347
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604404
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604460
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581613
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propylpropanamide
CID 114581632
N-butan-2-yl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581678
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 114581681
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581769

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide (CID 114582358) is 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)n1cnc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is JWFMSFDXYZEKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3/c1-5(8(16)13-9(17)11-2)14-4-12-6(10)3-7(14)15/h3-5H,1-2H3,(H2,11,13,16,17).
What are the key properties of 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide?
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 258.67 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 114582358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).