N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide

C22H24N4O — CID 109315921

IUPACN-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(N(CC)c2cccc(C)c2)n1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-4-25(18-11-7-6-8-12-18)21(27)20-14-15-23-22(24-20)26(5-2)19-13-9-10-17(3)16-19/h6-16H,4-5H2,1-3H3
InChIKeyWICYHZNRQYEFNQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.61
Rot. Bonds6

About N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide

N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109315921) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109315921
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(N(CC)c2cccc(C)c2)n1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-4-25(18-11-7-6-8-12-18)21(27)20-14-15-23-22(24-20)26(5-2)19-13-9-10-17(3)16-19/h6-16H,4-5H2,1-3H3
InChIKeyWICYHZNRQYEFNQ-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

2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600
N-butyl-2-(N-ethyl-3-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109312422
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
N-ethyl-2-(N-ethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109267707
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109309347
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109305037
N-ethyl-6-(N-ethylanilino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 112849511
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
[2-(N-ethyl-3-methylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302364

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109315921) is N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(N(CC)c2cccc(C)c2)n1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is WICYHZNRQYEFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-25(18-11-7-6-8-12-18)21(27)20-14-15-23-22(24-20)26(5-2)19-13-9-10-17(3)16-19/h6-16H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-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-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109315921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).