N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide

C21H22N4O2 — CID 109267666

IUPACN-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(N(CC)c2ccccc2)nc1
InChIInChI=1S/C21H22N4O2/c1-3-25(17-10-6-5-7-11-17)21-22-14-16(15-23-21)20(26)24-18-12-8-9-13-19(18)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,26)
InChIKeyOILDHNLKVBXIEF-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.29
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide

N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide (PubChem CID 109267666) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
PubChem CID109267666
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(N(CC)c2ccccc2)nc1
InChIInChI=1S/C21H22N4O2/c1-3-25(17-10-6-5-7-11-17)21-22-14-16(15-23-21)20(26)24-18-12-8-9-13-19(18)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,26)
InChIKeyOILDHNLKVBXIEF-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)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
N-(2-ethoxyphenyl)-2-(N-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336367
N-(2,4-dimethylphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109266377
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
N-(2-ethoxyphenyl)-6-(N-ethylanilino)-2-methylpyrimidine-4-carboxamide
CID 112849486
N-(3,4-difluorophenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109267710
methyl 2-[[2-(N-ethyl-3-methylanilino)pyrimidine-5-carbonyl]amino]benzoate
CID 109270199
N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763
N-cyclopentyl-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109249620
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
2-(2,5-dimethylanilino)-N-(2-ethoxyphenyl)pyrimidine-5-carboxamide
CID 109266635
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide (CID 109267666) is N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide is CCOc1ccccc1NC(=O)c1cnc(N(CC)c2ccccc2)nc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
The InChIKey is OILDHNLKVBXIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-25(17-10-6-5-7-11-17)21-22-14-16(15-23-21)20(26)24-18-12-8-9-13-19(18)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-carboxamide?
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-5-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)-2-(N-ethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).