2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

C21H22N4O2 — CID 109267775

IUPAC2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)Nc2ccc(OC)cc2)cn1
InChIInChI=1S/C21H22N4O2/c1-4-15-7-5-6-14(2)19(15)25-21-22-12-16(13-23-21)20(26)24-17-8-10-18(27-3)11-9-17/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyBMMVVDIVMLKWBG-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.35
Rot. Bonds6

About 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109267775) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109267775
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1Nc1ncc(C(=O)Nc2ccc(OC)cc2)cn1
InChIInChI=1S/C21H22N4O2/c1-4-15-7-5-6-14(2)19(15)25-21-22-12-16(13-23-21)20(26)24-17-8-10-18(27-3)11-9-17/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25)
InChIKeyBMMVVDIVMLKWBG-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-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728
5-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109198604
methyl 3-[[2-(2-ethyl-6-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109267789
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
2-(2,4-dimethoxyanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-5-carboxamide
CID 109267735
N-(3-cyanophenyl)-2-(2-ethyl-6-methylanilino)pyrimidine-5-carboxamide
CID 109267799
N-(2-ethyl-6-methylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198585
2-(2,6-diethylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265494
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-3,5-dimethoxybenzamide
CID 113032663
5-(2,6-diethylanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109243967
methyl 4-[[2-(2-ethyl-6-methylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109315951
N-(4-ethoxyphenyl)-2-(2-ethyl-6-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336454

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (CID 109267775) is 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is CCc1cccc(C)c1Nc1ncc(C(=O)Nc2ccc(OC)cc2)cn1.
What is the InChIKey of 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is BMMVVDIVMLKWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-4-15-7-5-6-14(2)19(15)25-21-22-12-16(13-23-21)20(26)24-17-8-10-18(27-3)11-9-17/h5-13H,4H2,1-3H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-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 2-(2-ethyl-6-methylanilino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).