2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

C22H24N4O — CID 109265494

IUPAC2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1Nc1ncc(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C22H24N4O/c1-4-16-9-7-10-17(5-2)20(16)26-22-23-13-18(14-24-22)21(27)25-19-11-6-8-15(3)12-19/h6-14H,4-5H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyQOBMPSRTYLLQBY-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.91
Rot. Bonds6

About 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109265494) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109265494
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1Nc1ncc(C(=O)Nc2cccc(C)c2)cn1
InChIInChI=1S/C22H24N4O/c1-4-16-9-7-10-17(5-2)20(16)26-22-23-13-18(14-24-22)21(27)25-19-11-6-8-15(3)12-19/h6-14H,4-5H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyQOBMPSRTYLLQBY-UHFFFAOYSA-N
XLogP4.91
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
methyl 3-[[2-(2-ethyl-6-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267789
N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
CID 109267799
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109267775

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (CID 109265494) is 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is CCc1cccc(CC)c1Nc1ncc(C(=O)Nc2cccc(C)c2)cn1.
What is the InChIKey of 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is QOBMPSRTYLLQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-16-9-7-10-17(5-2)20(16)26-22-23-13-18(14-24-22)21(27)25-19-11-6-8-15(3)12-19/h6-14H,4-5H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).