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

C22H24N4O2 — CID 109317817

IUPAC2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)N(CC)c2cccc(C)c2)n1
InChIInChI=1S/C22H24N4O2/c1-4-26(17-10-8-9-16(3)15-17)21(27)19-13-14-23-22(25-19)24-18-11-6-7-12-20(18)28-5-2/h6-15H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyLBUXJUUYTZZURI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.59
Rot. Bonds7

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

2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109317817) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109317817
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1nccc(C(=O)N(CC)c2cccc(C)c2)n1
InChIInChI=1S/C22H24N4O2/c1-4-26(17-10-8-9-16(3)15-17)21(27)19-13-14-23-22(25-19)24-18-11-6-7-12-20(18)28-5-2/h6-15H,4-5H2,1-3H3,(H,23,24,25)
InChIKeyLBUXJUUYTZZURI-UHFFFAOYSA-N
XLogP4.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
2-(3,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109318089
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307019
N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109299782
N-ethyl-N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296103
N-ethyl-2-(3-methoxypropylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109300149
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315906
N-ethyl-6-methyl-2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334801
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109317817) is 2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCOc1ccccc1Nc1nccc(C(=O)N(CC)c2cccc(C)c2)n1.
What is the InChIKey of 2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LBUXJUUYTZZURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-26(17-10-8-9-16(3)15-17)21(27)19-13-14-23-22(25-19)24-18-11-6-7-12-20(18)28-5-2/h6-15H,4-5H2,1-3H3,(H,23,24,25).
What are the key properties of 2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide?
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).