3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

C11H14ClN3O2 — CID 114581780

IUPAC3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCc1nc(Cl)cc(=O)n1CCC(=O)NC1CC1
InChIInChI=1S/C11H14ClN3O2/c1-7-13-9(12)6-11(17)15(7)5-4-10(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16)
InChIKeyLJATZLQOQGBOOB-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.87
Rot. Bonds4

About 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide

3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (PubChem CID 114581780) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
PubChem CID114581780
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide
SMILESCc1nc(Cl)cc(=O)n1CCC(=O)NC1CC1
InChIInChI=1S/C11H14ClN3O2/c1-7-13-9(12)6-11(17)15(7)5-4-10(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16)
InChIKeyLJATZLQOQGBOOB-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66341380
3-(4-chloro-2-ethyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604535
3-(4-chloro-2-cyclopropyl-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 113604584
3-(4-chloro-6-oxo-2-propan-2-ylpyrimidin-1-yl)-N-cyclopropylpropanamide
CID 113604612
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)-2-methylpropanamide
CID 114581597
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)acetamide
CID 114581660
3-(4-Chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581667
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-butyl-2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 114581719
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 114581819

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The IUPAC name of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide (CID 114581780) is 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is Cc1nc(Cl)cc(=O)n1CCC(=O)NC1CC1.
What is the InChIKey of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
The InChIKey is LJATZLQOQGBOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-13-9(12)6-11(17)15(7)5-4-10(16)14-8-2-3-8/h6,8H,2-5H2,1H3,(H,14,16).
What are the key properties of 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide?
3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide has a molecular weight of 255.70 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopropylpropanamide is sourced from PubChem (CID 114581780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).