6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

C17H21ClN4O2 — CID 109361667

IUPAC6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2cc(Cl)ccc2OC)nc(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-4-5-8-19-16-10-14(20-11(2)21-16)17(23)22-13-9-12(18)6-7-15(13)24-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyZBQSADRXDSFILJ-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.91
Rot. Bonds7

About 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide

6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109361667) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109361667
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNc1cc(C(=O)Nc2cc(Cl)ccc2OC)nc(C)n1
InChIInChI=1S/C17H21ClN4O2/c1-4-5-8-19-16-10-14(20-11(2)21-16)17(23)22-13-9-12(18)6-7-15(13)24-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyZBQSADRXDSFILJ-UHFFFAOYSA-N
XLogP3.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.91
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)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371506
N-(5-chloro-2-methoxyphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354452
N-(2,4-dimethoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846755
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
N-(5-chloro-2-methoxyphenyl)-6-(3,4-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849001
N-(5-chloro-2-methoxyphenyl)-6-(2,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112848921
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312013
N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846733
6-(5-chloro-2-methoxyanilino)-N-(2,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112848881
6-(butylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 109361692

Frequently Asked Questions

What is the IUPAC name of 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide (CID 109361667) is 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is CCCCNc1cc(C(=O)Nc2cc(Cl)ccc2OC)nc(C)n1.
What is the InChIKey of 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is ZBQSADRXDSFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-4-5-8-19-16-10-14(20-11(2)21-16)17(23)22-13-9-12(18)6-7-15(13)24-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide?
6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylamino)-N-(5-chloro-2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).