N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide

C17H21ClN4O2 — CID 109312013

IUPACN-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nccc(C(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C17H21ClN4O2/c1-3-4-5-9-19-17-20-10-8-13(22-17)16(23)21-14-11-12(18)6-7-15(14)24-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyIIUPPCILKZECJW-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.99
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 109312013) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
PubChem CID109312013
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1nccc(C(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C17H21ClN4O2/c1-3-4-5-9-19-17-20-10-8-13(22-17)16(23)21-14-11-12(18)6-7-15(14)24-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,21,23)(H,19,20,22)
InChIKeyIIUPPCILKZECJW-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
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

N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
N-(5-chloro-2-methoxyphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354452
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109312912
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299710
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109361667
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306192
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide (CID 109312013) is N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1nccc(C(=O)Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is IIUPPCILKZECJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-3-4-5-9-19-17-20-10-8-13(22-17)16(23)21-14-11-12(18)6-7-15(14)24-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).