6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

C22H24N4O2 — CID 109368678

IUPAC6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCc2ccccc2C)nc(C)n1
InChIInChI=1S/C22H24N4O2/c1-4-28-20-12-8-7-11-18(20)26-21-13-19(24-16(3)25-21)22(27)23-14-17-10-6-5-9-15(17)2/h5-13H,4,14H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyUTSAUKFRFDPPLN-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.17
Rot. Bonds7

About 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109368678) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109368678
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NCc2ccccc2C)nc(C)n1
InChIInChI=1S/C22H24N4O2/c1-4-28-20-12-8-7-11-18(20)26-21-13-19(24-16(3)25-21)22(27)23-14-17-10-6-5-9-15(17)2/h5-13H,4,14H2,1-3H3,(H,23,27)(H,24,25,26)
InChIKeyUTSAUKFRFDPPLN-UHFFFAOYSA-N
XLogP4.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethoxyanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370912
6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846855
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371157
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
6-(2,4-dimethylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368652
6-(2-methoxy-5-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368680
6-(5-chloro-2-methylanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368669
6-(3,4-dimethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368685
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
6-(2-ethylanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369694
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364632
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109368678) is 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)NCc2ccccc2C)nc(C)n1.
What is the InChIKey of 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is UTSAUKFRFDPPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-28-20-12-8-7-11-18(20)26-21-13-19(24-16(3)25-21)22(27)23-14-17-10-6-5-9-15(17)2/h5-13H,4,14H2,1-3H3,(H,23,27)(H,24,25,26).
What are the key properties of 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109368678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).