2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide

C11H14ClN3O2 — CID 114584467

IUPAC2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)NC1CC1
InChIInChI=1S/C11H14ClN3O2/c1-2-9-14-8(12)5-11(17)15(9)6-10(16)13-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,13,16)
InChIKeyXESIGWLHRYVJLJ-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.74
Rot. Bonds4

About 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide

2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide (PubChem CID 114584467) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
PubChem CID114584467
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide
SMILESCCc1nc(Cl)cc(=O)n1CC(=O)NC1CC1
InChIInChI=1S/C11H14ClN3O2/c1-2-9-14-8(12)5-11(17)15(9)6-10(16)13-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,13,16)
InChIKeyXESIGWLHRYVJLJ-UHFFFAOYSA-N
XLogP0.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604180
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 113604521
2-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114584717
2-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114585012
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 113604157
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-cyclopentylpropanamide
CID 113604170
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-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 113604189
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methoxypropyl)acetamide
CID 113604190

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The IUPAC name of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide (CID 114584467) is 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The canonical SMILES for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide is CCc1nc(Cl)cc(=O)n1CC(=O)NC1CC1.
What is the InChIKey of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
The InChIKey is XESIGWLHRYVJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-2-9-14-8(12)5-11(17)15(9)6-10(16)13-7-3-4-7/h5,7H,2-4,6H2,1H3,(H,13,16).
What are the key properties of 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide?
2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide has a molecular weight of 255.70 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-cyclopropylacetamide is sourced from PubChem (CID 114584467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).