6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide

C20H20N4O — CID 109355812

IUPAC6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C20H20N4O/c1-3-15-9-7-8-14(2)19(15)24-18-12-17(21-13-22-18)20(25)23-16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyAJNDHYIJEGRQTD-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.34
Rot. Bonds5

About 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide

6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109355812) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109355812
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1Nc1cc(C(=O)Nc2ccccc2)ncn1
InChIInChI=1S/C20H20N4O/c1-3-15-9-7-8-14(2)19(15)24-18-12-17(21-13-22-18)20(25)23-16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyAJNDHYIJEGRQTD-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109357545
N-cyclopropyl-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109339321
6-(2-ethyl-6-methylanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340481
ethyl 4-[[6-(2,6-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357110
N-[3-(dimethylamino)propyl]-6-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109344935
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357553
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-(2-chlorophenyl)-6-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109357083

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide (CID 109355812) is 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide is CCc1cccc(C)c1Nc1cc(C(=O)Nc2ccccc2)ncn1.
What is the InChIKey of 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is AJNDHYIJEGRQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-3-15-9-7-8-14(2)19(15)24-18-12-17(21-13-22-18)20(25)23-16-10-5-4-6-11-16/h4-13H,3H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide?
6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-6-methylanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).