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

C22H24N4O2 — CID 112849486

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

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

N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 112849486) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID112849486
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(N(CC)c2ccccc2)nc(C)n1
InChIInChI=1S/C22H24N4O2/c1-4-26(17-11-7-6-8-12-17)21-15-19(23-16(3)24-21)22(27)25-18-13-9-10-14-20(18)28-5-2/h6-15H,4-5H2,1-3H3,(H,25,27)
InChIKeyPYMWELRADVQVJJ-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

N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267666
N-(2-ethylphenyl)-2-methyl-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 112848484
N-[3-(dimethylamino)propyl]-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109366778
N-cyclohexyl-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109364018
2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
2-methyl-6-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 112848488

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide (CID 112849486) is N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(N(CC)c2ccccc2)nc(C)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is PYMWELRADVQVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-26(17-11-7-6-8-12-17)21-15-19(23-16(3)24-21)22(27)25-18-13-9-10-14-20(18)28-5-2/h6-15H,4-5H2,1-3H3,(H,25,27).
What are the key properties of N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-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)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112849486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).