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

C19H17BrN4O — CID 109315086

IUPAC2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3ccccc3Br)n2)cc1C
InChIInChI=1S/C19H17BrN4O/c1-12-7-8-14(11-13(12)2)22-18(25)17-9-10-21-19(24-17)23-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyQCGSEQHHEWVINM-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

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

2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315086) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315086
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3ccccc3Br)n2)cc1C
InChIInChI=1S/C19H17BrN4O/c1-12-7-8-14(11-13(12)2)22-18(25)17-9-10-21-19(24-17)23-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,22,25)(H,21,23,24)
InChIKeyQCGSEQHHEWVINM-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

ethyl 2-[[4-[(3,4-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109315101
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
N-(2-bromophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314730
N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317289
N-(4-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
2-(2,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313508
methyl 2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317304
N-(3-chloro-4-methylphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317314
2-(3,4-dimethylanilino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109314998
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314987

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide (CID 109315086) is 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(Nc3ccccc3Br)n2)cc1C.
What is the InChIKey of 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is QCGSEQHHEWVINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-7-8-14(11-13(12)2)22-18(25)17-9-10-21-19(24-17)23-16-6-4-3-5-15(16)20/h3-11H,1-2H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide?
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-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-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).