N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109357298

IUPACN-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Nc2cc(C)ccc2OC)ncn1
InChIInChI=1S/C21H22N4O2/c1-4-15-7-5-6-8-16(15)25-21(26)18-12-20(23-13-22-18)24-17-11-14(2)9-10-19(17)27-3/h5-13H,4H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyFXCQBDDAXOINCE-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.35
Rot. Bonds6

About N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide

N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109357298) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
PubChem CID109357298
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(Nc2cc(C)ccc2OC)ncn1
InChIInChI=1S/C21H22N4O2/c1-4-15-7-5-6-8-16(15)25-21(26)18-12-20(23-13-22-18)24-17-11-14(2)9-10-19(17)27-3/h5-13H,4H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyFXCQBDDAXOINCE-UHFFFAOYSA-N
XLogP4.35
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109356888
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
N-(2,4-difluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109359110
N-butan-2-yl-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109340888
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003
6-[(3,4-dimethoxyphenyl)methylamino]-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109352431
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362
6-(2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347713
6-(2,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109348977
5-(2-methoxy-5-methylanilino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109293379
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357807

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide (CID 109357298) is N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(Nc2cc(C)ccc2OC)ncn1.
What is the InChIKey of N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is FXCQBDDAXOINCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-15-7-5-6-8-16(15)25-21(26)18-12-20(23-13-22-18)24-17-11-14(2)9-10-19(17)27-3/h5-13H,4H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide?
N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).