2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide

C20H20N4O2 — CID 109315540

IUPAC2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H20N4O2/c1-3-14-7-4-5-10-17(14)23-20-21-12-11-18(24-20)19(25)22-15-8-6-9-16(13-15)26-2/h4-13H,3H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyOZUOGOKXEIRNDU-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.04
Rot. Bonds6

About 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide

2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109315540) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109315540
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2cccc(OC)c2)n1
InChIInChI=1S/C20H20N4O2/c1-3-14-7-4-5-10-17(14)23-20-21-12-11-18(24-20)19(25)22-15-8-6-9-16(13-15)26-2/h4-13H,3H2,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyOZUOGOKXEIRNDU-UHFFFAOYSA-N
XLogP4.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
2-[4-(diethylamino)anilino]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317672
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
N-(3-methoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306963
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide (CID 109315540) is 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is CCc1ccccc1Nc1nccc(C(=O)Nc2cccc(OC)c2)n1.
What is the InChIKey of 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is OZUOGOKXEIRNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-14-7-4-5-10-17(14)23-20-21-12-11-18(24-20)19(25)22-15-8-6-9-16(13-15)26-2/h4-13H,3H2,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide?
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).