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

C9H11ClN4O3 — CID 114581769

IUPACN-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NC(N)=O
InChIInChI=1S/C9H11ClN4O3/c1-4(8(16)13-9(11)17)14-5(2)12-6(10)3-7(14)15/h3-4H,1-2H3,(H3,11,13,16,17)
InChIKeyVXPDJYHLOKWGIN-UHFFFAOYSA-N
MW258.67 g/mol
LogP-0.04
Rot. Bonds2

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

N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide (PubChem CID 114581769) has the molecular formula C9H11ClN4O3 and a molecular weight of 258.67 g/mol. Its IUPAC name is N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
PubChem CID114581769
Molecular FormulaC9H11ClN4O3
Molecular Weight258.67 g/mol
Exact Mass258.05
IUPAC NameN-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NC(N)=O
InChIInChI=1S/C9H11ClN4O3/c1-4(8(16)13-9(11)17)14-5(2)12-6(10)3-7(14)15/h3-4H,1-2H3,(H3,11,13,16,17)
InChIKeyVXPDJYHLOKWGIN-UHFFFAOYSA-N
XLogP-0.04
TPSA107.08 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 ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)propanamide
CID 113604166
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 113604171
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604177
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604185
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
N-tert-butyl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604526
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-pentan-3-ylacetamide
CID 113604530
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-pentan-2-ylacetamide
CID 113604534
N-carbamoyl-2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)acetamide
CID 113604592
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 114581613
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 114581614
2-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581626

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide (CID 114581769) is N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide is Cc1nc(Cl)cc(=O)n1C(C)C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
The InChIKey is VXPDJYHLOKWGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3/c1-4(8(16)13-9(11)17)14-5(2)12-6(10)3-7(14)15/h3-4H,1-2H3,(H3,11,13,16,17).
What are the key properties of N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide?
N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide has a molecular weight of 258.67 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 114581769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).