N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide

C22H24N4O — CID 109371487

IUPACN-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(NCCc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O/c1-3-17-9-11-19(12-10-17)26-22(27)20-15-21(25-16(2)24-20)23-14-13-18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyNUKCLKQTLAHDMT-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.25
Rot. Bonds7

About N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide

N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109371487) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109371487
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(NCCc3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C22H24N4O/c1-3-17-9-11-19(12-10-17)26-22(27)20-15-21(25-16(2)24-20)23-14-13-18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyNUKCLKQTLAHDMT-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-phenyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371473
2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373529
N-(2,6-dimethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371484
6-[2-(2-fluorophenyl)ethylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109371777
6-[2-(4-fluorophenyl)ethylamino]-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109371899
N-(3-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372199
methyl 4-[[6-(benzylamino)-2-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109368332
N-(3,5-dimethylphenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372185
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109371506
N-(4-ethoxyphenyl)-6-[2-(2-fluorophenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109371808

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109371487) is N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(NCCc3ccccc3)nc(C)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is NUKCLKQTLAHDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-17-9-11-19(12-10-17)26-22(27)20-15-21(25-16(2)24-20)23-14-13-18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-methyl-6-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).