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

C20H20N4O — CID 109314005

IUPACN-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2ccc(C)cc2)n1)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-3-24(17-7-5-4-6-8-17)19(25)18-13-14-21-20(23-18)22-16-11-9-15(2)10-12-16/h4-14H,3H2,1-2H3,(H,21,22,23)
InChIKeyXIKJKKBRZPBZSA-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.20
Rot. Bonds5

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

N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109314005) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109314005
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(Nc2ccc(C)cc2)n1)c1ccccc1
InChIInChI=1S/C20H20N4O/c1-3-24(17-7-5-4-6-8-17)19(25)18-13-14-21-20(23-18)22-16-11-9-15(2)10-12-16/h4-14H,3H2,1-2H3,(H,21,22,23)
InChIKeyXIKJKKBRZPBZSA-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-(4-acetamidoanilino)-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109315894
ethyl 4-[[4-[ethyl(phenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315907
N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313994
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315906
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
2-(3,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109318089
2-anilino-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109313399
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398
2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109301765
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109314005) is N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(Nc2ccc(C)cc2)n1)c1ccccc1.
What is the InChIKey of N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is XIKJKKBRZPBZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-24(17-7-5-4-6-8-17)19(25)18-13-14-21-20(23-18)22-16-11-9-15(2)10-12-16/h4-14H,3H2,1-2H3,(H,21,22,23).
What are the key properties of N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide?
N-ethyl-2-(4-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 N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109314005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).