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

C11H14ClN3O2 — CID 114581908

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NC1CC1
InChIInChI=1S/C11H14ClN3O2/c1-6(11(17)14-8-3-4-8)15-7(2)13-9(12)5-10(15)16/h5-6,8H,3-4H2,1-2H3,(H,14,17)
InChIKeyAMKRAUGNRBVWLM-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.04
Rot. Bonds3

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (PubChem CID 114581908) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
PubChem CID114581908
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NC1CC1
InChIInChI=1S/C11H14ClN3O2/c1-6(11(17)14-8-3-4-8)15-7(2)13-9(12)5-10(15)16/h5-6,8H,3-4H2,1-2H3,(H,14,17)
InChIKeyAMKRAUGNRBVWLM-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.04
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-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
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)propanamide
CID 113604200
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (CID 114581908) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is Cc1nc(Cl)cc(=O)n1C(C)C(=O)NC1CC1.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The InChIKey is AMKRAUGNRBVWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-6(11(17)14-8-3-4-8)15-7(2)13-9(12)5-10(15)16/h5-6,8H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide has a molecular weight of 255.70 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 114581908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).