N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide

C21H22N4O — CID 109255731

IUPACN-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(NCc2ccccc2C)nc1)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-3-25(19-11-5-4-6-12-19)20(26)18-14-23-21(24-15-18)22-13-17-10-8-7-9-16(17)2/h4-12,14-15H,3,13H2,1-2H3,(H,22,23,24)
InChIKeyWCLNZEWCQQVQCG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.06
Rot. Bonds6

About N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide

N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide (PubChem CID 109255731) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
PubChem CID109255731
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(NCc2ccccc2C)nc1)c1ccccc1
InChIInChI=1S/C21H22N4O/c1-3-25(19-11-5-4-6-12-19)20(26)18-14-23-21(24-15-18)22-13-17-10-8-7-9-16(17)2/h4-12,14-15H,3,13H2,1-2H3,(H,22,23,24)
InChIKeyWCLNZEWCQQVQCG-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
N-ethyl-2-(3-methylbutylamino)-N-phenylpyrimidine-5-carboxamide
CID 109263537
2-(3,4-dimethylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109266763
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244
2-(cyclopropylamino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109247558
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
2-(4-acetylanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267607
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
2-(2,4-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267626
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
2-(3,5-dichloroanilino)-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109267628
1-[4-[2-[(2-methylphenyl)methylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide (CID 109255731) is N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide is CCN(C(=O)c1cnc(NCc2ccccc2C)nc1)c1ccccc1.
What is the InChIKey of N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
The InChIKey is WCLNZEWCQQVQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-25(19-11-5-4-6-12-19)20(26)18-14-23-21(24-15-18)22-13-17-10-8-7-9-16(17)2/h4-12,14-15H,3,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide?
N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109255731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).