2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide

C21H21N5O2 — CID 109315753

IUPAC2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H21N5O2/c1-3-15-4-6-17(7-5-15)24-20(28)19-12-13-22-21(26-19)25-18-10-8-16(9-11-18)23-14(2)27/h4-13H,3H2,1-2H3,(H,23,27)(H,24,28)(H,22,25,26)
InChIKeyUGNKSMWPARCECQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.99
Rot. Bonds6

About 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide

2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315753) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315753
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2ccnc(Nc3ccc(NC(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H21N5O2/c1-3-15-4-6-17(7-5-15)24-20(28)19-12-13-22-21(26-19)25-18-10-8-16(9-11-18)23-14(2)27/h4-13H,3H2,1-2H3,(H,23,27)(H,24,28)(H,22,25,26)
InChIKeyUGNKSMWPARCECQ-UHFFFAOYSA-N
XLogP3.99
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315686
2-(3,4-dimethylanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109314974
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
N-(2,6-difluorophenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315717
N-(4-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315784
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-butan-2-yl-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109297372
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315663
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
N-(4-ethylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307225
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
2-(4-acetamidoanilino)-N-cyclopropylpyrimidine-4-carboxamide
CID 109295859

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide (CID 109315753) is 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2ccnc(Nc3ccc(NC(C)=O)cc3)n2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is UGNKSMWPARCECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-15-4-6-17(7-5-15)24-20(28)19-12-13-22-21(26-19)25-18-10-8-16(9-11-18)23-14(2)27/h4-13H,3H2,1-2H3,(H,23,27)(H,24,28)(H,22,25,26).
What are the key properties of 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide?
2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).