N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide

C17H21ClN4O — CID 112846733

IUPACN-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C17H21ClN4O/c1-3-4-7-10-19-16-11-15(20-12(2)21-16)17(23)22-14-9-6-5-8-13(14)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyYTXHKTDMIZROHE-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.29
Rot. Bonds7

About N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide

N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 112846733) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
PubChem CID112846733
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC NameN-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2ccccc2Cl)nc(C)n1
InChIInChI=1S/C17H21ClN4O/c1-3-4-7-10-19-16-11-15(20-12(2)21-16)17(23)22-14-9-6-5-8-13(14)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyYTXHKTDMIZROHE-UHFFFAOYSA-N
XLogP4.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846794
N-(2,3-dimethylphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846721
2-methyl-6-(pentylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846784
6-(butylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 109361692
6-[(2-chlorophenyl)methylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109369963
N-(2,4-dimethoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846755
N-(2-ethylphenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365071
6-(butylamino)-N-(4-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109361659
N-(2-chlorophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848065
N-(3-methoxyphenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846747
N-(3,4-difluorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846806
6-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide (CID 112846733) is N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1cc(C(=O)Nc2ccccc2Cl)nc(C)n1.
What is the InChIKey of N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is YTXHKTDMIZROHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-4-7-10-19-16-11-15(20-12(2)21-16)17(23)22-14-9-6-5-8-13(14)18/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide?
N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 332.84 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methyl-6-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).