2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

C20H20N4O2 — CID 109313935

IUPAC2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C20H20N4O2/c1-3-26-18-10-5-4-9-16(18)23-20-21-12-11-17(24-20)19(25)22-15-8-6-7-14(2)13-15/h4-13H,3H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyQQWZJZUTLMDJRC-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.18
Rot. Bonds6

About 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109313935) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109313935
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)Nc2cccc(C)c2)n1
InChIInChI=1S/C20H20N4O2/c1-3-26-18-10-5-4-9-16(18)23-20-21-12-11-17(24-20)19(25)22-15-8-6-7-14(2)13-15/h4-13H,3H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyQQWZJZUTLMDJRC-UHFFFAOYSA-N
XLogP4.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109317808
4-(2-ethoxyanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219092
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
methyl 4-[[2-(2-ethoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109317806
N-(2,6-difluorophenyl)-2-(2-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317819
2-(2-ethoxyanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109317811
N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316179
N-(3,5-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109315206
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
2-(2-ethoxyanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337616
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109313935) is 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCOc1ccccc1Nc1nccc(C(=O)Nc2cccc(C)c2)n1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is QQWZJZUTLMDJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-26-18-10-5-4-9-16(18)23-20-21-12-11-17(24-20)19(25)22-15-8-6-7-14(2)13-15/h4-13H,3H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).