N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide

C19H17BrN4O — CID 109315564

IUPACN-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C19H17BrN4O/c1-2-13-7-3-5-9-15(13)23-19-21-12-11-17(24-19)18(25)22-16-10-6-4-8-14(16)20/h3-12H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyAYSXAQIHPZOTSB-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.80
Rot. Bonds5

About N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide

N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315564) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109315564
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2ccccc2Br)n1
InChIInChI=1S/C19H17BrN4O/c1-2-13-7-3-5-9-15(13)23-19-21-12-11-17(24-19)18(25)22-16-10-6-4-8-14(16)20/h3-12H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyAYSXAQIHPZOTSB-UHFFFAOYSA-N
XLogP4.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315533
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
N-(2-bromophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314730
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
2-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109315551
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307652
N-(2-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315653

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide (CID 109315564) is N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide is CCc1ccccc1Nc1nccc(C(=O)Nc2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is AYSXAQIHPZOTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-2-13-7-3-5-9-15(13)23-19-21-12-11-17(24-19)18(25)22-16-10-6-4-8-14(16)20/h3-12H,2H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).