2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide

C20H20N4O — CID 109314288

IUPAC2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-3-15-9-7-8-12-17(15)22-20-21-14-13-18(23-20)19(25)24(2)16-10-5-4-6-11-16/h4-14H,3H2,1-2H3,(H,21,22,23)
InChIKeyFFONSDLSRQUSLH-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.06
Rot. Bonds5

About 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide

2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109314288) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109314288
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-3-15-9-7-8-12-17(15)22-20-21-14-13-18(23-20)19(25)24(2)16-10-5-4-6-11-16/h4-14H,3H2,1-2H3,(H,21,22,23)
InChIKeyFFONSDLSRQUSLH-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-[methyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314366
2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109313399
N-methyl-2-(2-phenoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314355
N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313994
2-N-(2-ethylphenyl)-4-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902024
2-(butan-2-ylamino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109297170
2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311044
2-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109308221
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302276
2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307652
[2-(2-ethylanilino)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109309526
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109314288) is 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is CCc1ccccc1Nc1nccc(C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is FFONSDLSRQUSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-15-9-7-8-12-17(15)22-20-21-14-13-18(23-20)19(25)24(2)16-10-5-4-6-11-16/h4-14H,3H2,1-2H3,(H,21,22,23).
What are the key properties of 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109314288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).