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

C14H20ClN3O2 — CID 114581689

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H20ClN3O2/c1-9(14(20)17-11-6-4-3-5-7-11)18-10(2)16-12(15)8-13(18)19/h8-9,11H,3-7H2,1-2H3,(H,17,20)
InChIKeyDUWDLZPCIDWCHX-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.22
Rot. Bonds3

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide (PubChem CID 114581689) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
PubChem CID114581689
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide
SMILESCc1nc(Cl)cc(=O)n1C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C14H20ClN3O2/c1-9(14(20)17-11-6-4-3-5-7-11)18-10(2)16-12(15)8-13(18)19/h8-9,11H,3-7H2,1-2H3,(H,17,20)
InChIKeyDUWDLZPCIDWCHX-UHFFFAOYSA-N
XLogP2.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(Cyclohexylamino)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63793846
N-cyclohexyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66341828
6-Chloro-2-methyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604146
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-pentan-3-ylacetamide
CID 113604185
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclopentylacetamide
CID 113604189
2-(4-chloro-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 113604199
2-(4-chloro-6-oxopyrimidin-1-yl)-N-pentylpropanamide
CID 113604232
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-(3-methylbutan-2-yl)acetamide
CID 113604502

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide (CID 114581689) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide is Cc1nc(Cl)cc(=O)n1C(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
The InChIKey is DUWDLZPCIDWCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(14(20)17-11-6-4-3-5-7-11)18-10(2)16-12(15)8-13(18)19/h8-9,11H,3-7H2,1-2H3,(H,17,20).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cyclohexylpropanamide has a molecular weight of 297.79 g/mol, XLogP of 2.22, 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-cyclohexylpropanamide is sourced from PubChem (CID 114581689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).