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

C19H17BrN4O — CID 109266734

IUPAC2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3Br)nc2)cc1C
InChIInChI=1S/C19H17BrN4O/c1-12-7-8-15(9-13(12)2)23-18(25)14-10-21-19(22-11-14)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyRLDPDAHJWAQHNQ-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

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

2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109266734) 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-5-carboxamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109266734
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Nc3ccccc3Br)nc2)cc1C
InChIInChI=1S/C19H17BrN4O/c1-12-7-8-15(9-13(12)2)23-18(25)14-10-21-19(22-11-14)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyRLDPDAHJWAQHNQ-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-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249
N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109266715
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315086
N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266961
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378
N-(4-acetamidophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265432
2-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266730
2-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109255502
N-(4-tert-butylphenyl)-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266770
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
N-(3,4-dimethylphenyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256532

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide (CID 109266734) is 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide is Cc1ccc(NC(=O)c2cnc(Nc3ccccc3Br)nc2)cc1C.
What is the InChIKey of 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is RLDPDAHJWAQHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-7-8-15(9-13(12)2)23-18(25)14-10-21-19(22-11-14)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide?
2-(2-bromoanilino)-N-(3,4-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-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).