N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide

C21H22N4O — CID 109256532

IUPACN-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC(C)c3ccccc3)nc2)cc1C
InChIInChI=1S/C21H22N4O/c1-14-9-10-19(11-15(14)2)25-20(26)18-12-22-21(23-13-18)24-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyVXBXIVFJGZEPAF-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.52
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide

N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109256532) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109256532
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(NC(C)c3ccccc3)nc2)cc1C
InChIInChI=1S/C21H22N4O/c1-14-9-10-19(11-15(14)2)25-20(26)18-12-22-21(23-13-18)24-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyVXBXIVFJGZEPAF-UHFFFAOYSA-N
XLogP4.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256548
N-(2-methyl-6-propan-2-ylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256544
N-(3,4-dimethylphenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347558
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109266715
2-(1-phenylethylamino)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109256567
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734
2-[[(1S)-1-phenylethyl]amino]pyrimidine-5-carboxamide
CID 141139654
N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109248455
N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170167
2-(3-chloro-4-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256422
N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 53337925

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide (CID 109256532) is N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(NC(C)c3ccccc3)nc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is VXBXIVFJGZEPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-9-10-19(11-15(14)2)25-20(26)18-12-22-21(23-13-18)24-16(3)17-7-5-4-6-8-17/h4-13,16H,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide?
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).