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

C10H13ClN4O3 — CID 114581916

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H13ClN4O3/c1-5(9(17)14-10(18)12-3)15-6(2)13-7(11)4-8(15)16/h4-5H,1-3H3,(H2,12,14,17,18)
InChIKeyFUDREMSMXUTHDZ-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.22
Rot. Bonds2

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 114581916) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
PubChem CID114581916
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)n1c(C)nc(Cl)cc1=O
InChIInChI=1S/C10H13ClN4O3/c1-5(9(17)14-10(18)12-3)15-6(2)13-7(11)4-8(15)16/h4-5H,1-3H3,(H2,12,14,17,18)
InChIKeyFUDREMSMXUTHDZ-UHFFFAOYSA-N
XLogP0.22
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.22
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
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 113604347
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-(ethylcarbamoyl)propanamide
CID 113604460
N-butan-2-yl-2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 113604489
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide (CID 114581916) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)n1c(C)nc(Cl)cc1=O.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is FUDREMSMXUTHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c1-5(9(17)14-10(18)12-3)15-6(2)13-7(11)4-8(15)16/h4-5H,1-3H3,(H2,12,14,17,18).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 272.69 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 114581916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).