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

C21H22N4O2 — CID 109357420

IUPACN-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(N(CC)c2ccccc2)ncn1
InChIInChI=1S/C21H22N4O2/c1-3-25(16-10-6-5-7-11-16)20-14-18(22-15-23-20)21(26)24-17-12-8-9-13-19(17)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,26)
InChIKeyAKUXADUSJQPYRC-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.29
Rot. Bonds7

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

N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357420) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109357420
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(N(CC)c2ccccc2)ncn1
InChIInChI=1S/C21H22N4O2/c1-3-25(16-10-6-5-7-11-16)20-14-18(22-15-23-20)21(26)24-17-12-8-9-13-19(17)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,26)
InChIKeyAKUXADUSJQPYRC-UHFFFAOYSA-N
XLogP4.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849486
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
6-(N-ethyl-3-methylanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358783
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357416
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267666
N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357453
4-(N-ethylanilino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109220319
2-N-(2-ethoxyphenyl)-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109092343
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357445

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (CID 109357420) is N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(N(CC)c2ccccc2)ncn1.
What is the InChIKey of N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is AKUXADUSJQPYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-25(16-10-6-5-7-11-16)20-14-18(22-15-23-20)21(26)24-17-12-8-9-13-19(17)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.29, 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)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).