5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide

C14H20ClN3O2 — CID 99775439

IUPAC5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCOC1CCCCCC1)c1ncncc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-12-9-16-10-18-13(12)14(19)17-7-8-20-11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,17,19)
InChIKeyIYMMOLNCRZPUHH-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.60
Rot. Bonds5

About 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide

5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide (PubChem CID 99775439) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide
PubChem CID99775439
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCOC1CCCCCC1)c1ncncc1Cl
InChIInChI=1S/C14H20ClN3O2/c15-12-9-16-10-18-13(12)14(19)17-7-8-20-11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,17,19)
InChIKeyIYMMOLNCRZPUHH-UHFFFAOYSA-N
XLogP2.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-cyclopentyloxyethyl)-6-(methylamino)pyridine-3-carboxamide
CID 63834843
N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide
CID 119382372
N-(2-aminoethyl)-5-chloropyrimidine-4-carboxamide;hydrochloride
CID 119382371
2-chloro-N-(2-cyclohexyloxyethyl)-5-hydroxybenzamide
CID 106501857
4-amino-3,5-dichloro-N-(2-cyclopentyloxyethyl)benzamide
CID 82833373
2-(2-cyclohexyloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63828189
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
3-bromo-4-chloro-N-(2-cyclohexyloxyethyl)benzamide
CID 107999547
N-(2-cyclohexyloxyethyl)-2,3-difluoropyridine-4-carboxamide
CID 105381247
4-bromo-N-(2-cyclopentyloxyethyl)benzamide
CID 61149535
N-(2-cycloheptyloxyethyl)-1-methylimidazole-4-carboxamide
CID 136516341
4-N-(2-cyclohexyloxyethyl)pyrimidine-4,5-diamine
CID 79917375

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide (CID 99775439) is 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide is O=C(NCCOC1CCCCCC1)c1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide?
The InChIKey is IYMMOLNCRZPUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-12-9-16-10-18-13(12)14(19)17-7-8-20-11-5-3-1-2-4-6-11/h9-11H,1-8H2,(H,17,19).
What are the key properties of 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide?
5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cycloheptyloxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 99775439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).