2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C22H24N4O — CID 109327723

IUPAC2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nc(C)cc(C(=O)NCc2cccc(C)c2)n1
InChIInChI=1S/C22H24N4O/c1-4-26(19-11-6-5-7-12-19)22-24-17(3)14-20(25-22)21(27)23-15-18-10-8-9-16(2)13-18/h5-14H,4,15H2,1-3H3,(H,23,27)
InChIKeyZNWQDCHXZZXEDI-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.18
Rot. Bonds6

About 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109327723) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109327723
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1nc(C)cc(C(=O)NCc2cccc(C)c2)n1
InChIInChI=1S/C22H24N4O/c1-4-26(19-11-6-5-7-12-19)22-24-17(3)14-20(25-22)21(27)23-15-18-10-8-9-16(2)13-18/h5-14H,4,15H2,1-3H3,(H,23,27)
InChIKeyZNWQDCHXZZXEDI-UHFFFAOYSA-N
XLogP4.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(N-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327712
2-(N-ethyl-3-methylanilino)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328818
2-(N-ethylanilino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332530
2-[butyl(methyl)amino]-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327703
N-(2,6-dimethylphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336042
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
2-(N-benzylanilino)-N-butyl-6-methylpyrimidine-4-carboxamide
CID 109320759
N-benzyl-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109209759
6-N,6-N-diethyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097429
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336352
2-[benzyl(ethyl)amino]-N-[(4-chlorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329023
2-(butylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109320439

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109327723) is 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is CCN(c1ccccc1)c1nc(C)cc(C(=O)NCc2cccc(C)c2)n1.
What is the InChIKey of 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is ZNWQDCHXZZXEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(19-11-6-5-7-12-19)22-24-17(3)14-20(25-22)21(27)23-15-18-10-8-9-16(2)13-18/h5-14H,4,15H2,1-3H3,(H,23,27).
What are the key properties of 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109327723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).