N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide

C22H24N4O2 — CID 109336367

IUPACN-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(C)nc(N(CC)c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-4-26(17-11-7-6-8-12-17)22-23-16(3)15-19(25-22)21(27)24-18-13-9-10-14-20(18)28-5-2/h6-15H,4-5H2,1-3H3,(H,24,27)
InChIKeyPWHRKVOPRMXQFK-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.59
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide

N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109336367) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109336367
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(C)nc(N(CC)c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-4-26(17-11-7-6-8-12-17)22-23-16(3)15-19(25-22)21(27)24-18-13-9-10-14-20(18)28-5-2/h6-15H,4-5H2,1-3H3,(H,24,27)
InChIKeyPWHRKVOPRMXQFK-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

Analyze N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
2-(N-ethylanilino)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336352
N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849486
4-N-(2-ethoxyphenyl)-2-N-ethyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112928845
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267666
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
N-(2-ethoxyphenyl)-6-methyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109320161
2-(diethylamino)-6-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109332221
N-(2-ethoxyphenyl)-6-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109329690
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333574
2-(N-ethyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109317989

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109336367) is N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(C)nc(N(CC)c2ccccc2)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is PWHRKVOPRMXQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-26(17-11-7-6-8-12-17)22-23-16(3)15-19(25-22)21(27)24-18-13-9-10-14-20(18)28-5-2/h6-15H,4-5H2,1-3H3,(H,24,27).
What are the key properties of N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-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 N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109336367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).