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

C20H20N4O — CID 109313600

IUPAC2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-3-24(17-11-7-8-15(2)14-17)20-21-13-12-18(23-20)19(25)22-16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H,22,25)
InChIKeyPNQKKQVIPQNGAS-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.20
Rot. Bonds5

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

2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109313600) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109313600
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(c1cccc(C)c1)c1nccc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-3-24(17-11-7-8-15(2)14-17)20-21-13-12-18(23-20)19(25)22-16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H,22,25)
InChIKeyPNQKKQVIPQNGAS-UHFFFAOYSA-N
XLogP4.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-3-methylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109315780
N-(3-acetylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318199
N-(3,4-dimethylphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109315105
N-(3,5-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315184
N-(3-acetamidophenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315823
N-(3,4-dimethoxyphenyl)-2-(N-ethyl-3-methylanilino)pyrimidine-4-carboxamide
CID 109318103
2-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317989
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
2-(N-ethyl-3-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307163
methyl 4-[[2-(N-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315827
N-(4-acetylphenyl)-4-(N-ethyl-3-methylanilino)pyridine-2-carboxamide
CID 109222166
2-(N-ethyl-3-methylanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265763

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109313600) is 2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide is CCN(c1cccc(C)c1)c1nccc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is PNQKKQVIPQNGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-24(17-11-7-8-15(2)14-17)20-21-13-12-18(23-20)19(25)22-16-9-5-4-6-10-16/h4-14H,3H2,1-2H3,(H,22,25).
What are the key properties of 2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide?
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).