2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide

C17H21ClN4O2 — CID 109263675

IUPAC2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2cc(Cl)ccc2OC)nc1
InChIInChI=1S/C17H21ClN4O2/c1-3-4-5-8-19-16(23)12-10-20-17(21-11-12)22-14-9-13(18)6-7-15(14)24-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyMIJMDJHEDOANPG-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.80
Rot. Bonds8

About 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide

2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide (PubChem CID 109263675) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
PubChem CID109263675
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(Nc2cc(Cl)ccc2OC)nc1
InChIInChI=1S/C17H21ClN4O2/c1-3-4-5-8-19-16(23)12-10-20-17(21-11-12)22-14-9-13(18)6-7-15(14)24-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyMIJMDJHEDOANPG-UHFFFAOYSA-N
XLogP3.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263674
2-(5-chloro-2-methoxyanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256158
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
2-(5-chloro-2-methoxyanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266859
2-(5-chloro-2-methoxyanilino)-N-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 109268468
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251840
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide (CID 109263675) is 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide is CCCCCNC(=O)c1cnc(Nc2cc(Cl)ccc2OC)nc1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide?
The InChIKey is MIJMDJHEDOANPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-3-4-5-8-19-16(23)12-10-20-17(21-11-12)22-14-9-13(18)6-7-15(14)24-2/h6-7,9-11H,3-5,8H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide?
2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-pentylpyrimidine-5-carboxamide is sourced from PubChem (CID 109263675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).