N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

C22H24N4O — CID 109267707

IUPACN-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N(CC)c2ccccc2)nc1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-4-25(20-13-9-10-17(3)14-20)21(27)18-15-23-22(24-16-18)26(5-2)19-11-7-6-8-12-19/h6-16H,4-5H2,1-3H3
InChIKeyGVEJSCYTBGPIGY-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.61
Rot. Bonds6

About N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide

N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267707) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
PubChem CID109267707
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(N(CC)c2ccccc2)nc1)c1cccc(C)c1
InChIInChI=1S/C22H24N4O/c1-4-25(20-13-9-10-17(3)14-20)21(27)18-15-23-22(24-16-18)26(5-2)19-11-7-6-8-12-19/h6-16H,4-5H2,1-3H3
InChIKeyGVEJSCYTBGPIGY-UHFFFAOYSA-N
XLogP4.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
2-(N-ethyl-3-methylanilino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256472
2-(N-ethyl-3-methylanilino)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109247056
N-[2-(dimethylamino)ethyl]-2-(N-ethyl-3-methylanilino)pyrimidine-5-carboxamide
CID 109252850
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763
2-(N-ethyl-3-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256997
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide (CID 109267707) is N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is CCN(C(=O)c1cnc(N(CC)c2ccccc2)nc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is GVEJSCYTBGPIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-25(20-13-9-10-17(3)14-20)21(27)18-15-23-22(24-16-18)26(5-2)19-11-7-6-8-12-19/h6-16H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide?
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).