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

C14H20ClN3O2 — CID 114581619

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H20ClN3O2/c1-10-16-12(15)8-14(20)18(10)9-13(19)17-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,17,19)
InChIKeyJDEVTGZGZSPIGT-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.04
Rot. Bonds3

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

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide (PubChem CID 114581619) 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-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
PubChem CID114581619
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H20ClN3O2/c1-10-16-12(15)8-14(20)18(10)9-13(19)17-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,17,19)
InChIKeyJDEVTGZGZSPIGT-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(2,6-dimethyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110429816
N-cyclohexyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768332
N-cycloheptyl-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680359
3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172485
N-cyclopentyl-2-(4,11,13-trimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetamide
CID 50834031
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-cycloheptylacetamide
CID 51139859
N-cyclohexyl-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 103603459
N-cyclohexyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 20944219
N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 7588433
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 47458927
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 87050345

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide (CID 114581619) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide is Cc1nc(Cl)cc(=O)n1CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
The InChIKey is JDEVTGZGZSPIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10-16-12(15)8-14(20)18(10)9-13(19)17-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,17,19).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide has a molecular weight of 297.79 g/mol, XLogP of 2.04, 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-cycloheptylacetamide is sourced from PubChem (CID 114581619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).