N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide

C22H24N4O — CID 109256409

IUPACN-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(Nc2ncc(C(=O)NC(C)c3ccccc3)cn2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-14-10-15(2)20(16(3)11-14)26-22-23-12-19(13-24-22)21(27)25-17(4)18-8-6-5-7-9-18/h5-13,17H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyQRWGZNUCTUACRV-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.64
Rot. Bonds5

About N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide

N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109256409) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
PubChem CID109256409
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(Nc2ncc(C(=O)NC(C)c3ccccc3)cn2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-14-10-15(2)20(16(3)11-14)26-22-23-12-19(13-24-22)21(27)25-17(4)18-8-6-5-7-9-18/h5-13,17H,1-4H3,(H,25,27)(H,23,24,26)
InChIKeyQRWGZNUCTUACRV-UHFFFAOYSA-N
XLogP4.64
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256422
2-(3,4-difluoroanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256475
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
N-tert-butyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109262869
ethyl 4-[[5-(1-phenylethylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109256458
2-(2-chloro-4,6-dimethylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304923
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
N-(3-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109265493
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)acetamide
CID 54812168

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide (CID 109256409) is N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide is Cc1cc(C)c(Nc2ncc(C(=O)NC(C)c3ccccc3)cn2)c(C)c1.
What is the InChIKey of N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is QRWGZNUCTUACRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14-10-15(2)20(16(3)11-14)26-22-23-12-19(13-24-22)21(27)25-17(4)18-8-6-5-7-9-18/h5-13,17H,1-4H3,(H,25,27)(H,23,24,26).
What are the key properties of N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide?
N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).