N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide

C21H22N4O — CID 109265493

IUPACN-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3c(C)cc(C)cc3C)nc2)c1
InChIInChI=1S/C21H22N4O/c1-13-6-5-7-18(10-13)24-20(26)17-11-22-21(23-12-17)25-19-15(3)8-14(2)9-16(19)4/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyAMTJIROWRNYFJU-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.71
Rot. Bonds4

About N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide

N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109265493) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
PubChem CID109265493
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3c(C)cc(C)cc3C)nc2)c1
InChIInChI=1S/C21H22N4O/c1-13-6-5-7-18(10-13)24-20(26)17-11-22-21(23-12-17)25-19-15(3)8-14(2)9-16(19)4/h5-12H,1-4H3,(H,24,26)(H,22,23,25)
InChIKeyAMTJIROWRNYFJU-UHFFFAOYSA-N
XLogP4.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.71
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
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265494
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265605
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
2-(3-bromoanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265544
N-(3-bromophenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265641
2-(3-fluoroanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265542
N-(3-chloro-4-methylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265603
2-(2,6-dimethylanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266373
2-(4-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265488
methyl 4-[[5-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109265533

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide (CID 109265493) is N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3c(C)cc(C)cc3C)nc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is AMTJIROWRNYFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-6-5-7-18(10-13)24-20(26)17-11-22-21(23-12-17)25-19-15(3)8-14(2)9-16(19)4/h5-12H,1-4H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).