N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109315975

IUPACN-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C21H22N4O2/c1-4-15-7-5-6-14(2)19(15)25-20(26)18-12-13-22-21(24-18)23-16-8-10-17(27-3)11-9-16/h5-13H,4H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyVFQXAKJUAAZPOQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.35
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109315975) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109315975
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C21H22N4O2/c1-4-15-7-5-6-14(2)19(15)25-20(26)18-12-13-22-21(24-18)23-16-8-10-17(27-3)11-9-16/h5-13H,4H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyVFQXAKJUAAZPOQ-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

2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-(2-ethyl-6-methylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198585
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728
2-(4-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109316217
2-(4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304126
2-(4-acetylanilino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109316275
5-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109198604
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
N-(2-ethyl-6-methylphenyl)-4-(3-methoxyanilino)pyridine-2-carboxamide
CID 109220361
2-(3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315347
6-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100636

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide (CID 109315975) is N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1ccnc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is VFQXAKJUAAZPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-15-7-5-6-14(2)19(15)25-20(26)18-12-13-22-21(24-18)23-16-8-10-17(27-3)11-9-16/h5-13H,4H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)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-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).