N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C22H24N4O2 — CID 109316179

IUPACN-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C22H24N4O2/c1-5-28-19-9-7-6-8-17(19)24-21(27)18-10-11-23-22(25-18)26-20-15(3)12-14(2)13-16(20)4/h6-13H,5H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyDMHHJJIGERSAFM-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.80
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109316179) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID109316179
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C22H24N4O2/c1-5-28-19-9-7-6-8-17(19)24-21(27)18-10-11-23-22(25-18)26-20-15(3)12-14(2)13-16(20)4/h6-13H,5H2,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyDMHHJJIGERSAFM-UHFFFAOYSA-N
XLogP4.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
2-(2-ethoxyanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313935
N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303992
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
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-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797
N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300089
N-(4-fluorophenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316170
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
2-(2-ethoxyanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109317808
6-N-(2-ethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100070

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 109316179) is N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is DMHHJJIGERSAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-5-28-19-9-7-6-8-17(19)24-21(27)18-10-11-23-22(25-18)26-20-15(3)12-14(2)13-16(20)4/h6-13H,5H2,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109316179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).