2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide

C19H17BrN4O — CID 109267158

IUPAC2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3ccc(Br)cc3)nc2)c1C
InChIInChI=1S/C19H17BrN4O/c1-12-4-3-5-17(13(12)2)24-18(25)14-10-21-19(22-11-14)23-16-8-6-15(20)7-9-16/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyRBCPGLCNJIZLSQ-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

About 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide

2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109267158) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109267158
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(Nc3ccc(Br)cc3)nc2)c1C
InChIInChI=1S/C19H17BrN4O/c1-12-4-3-5-17(13(12)2)24-18(25)14-10-21-19(22-11-14)23-16-8-6-15(20)7-9-16/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyRBCPGLCNJIZLSQ-UHFFFAOYSA-N
XLogP4.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266911
2-(4-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266398
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315471
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265801
N-(2,3-dimethylphenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109267159
2-(4-tert-butylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265301
2-(4-ethylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265292
N-(2,3-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109267165
2-(2,5-dichloroanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267194
N-(3-chloro-2-methylphenyl)-2-(4-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109267962
N-(3-chloro-2-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268932
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268536

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide (CID 109267158) is 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(Nc3ccc(Br)cc3)nc2)c1C.
What is the InChIKey of 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is RBCPGLCNJIZLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-4-3-5-17(13(12)2)24-18(25)14-10-21-19(22-11-14)23-16-8-6-15(20)7-9-16/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide?
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109267158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).