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

C19H17BrN4O — CID 109315471

IUPAC2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(Nc3ccc(Br)cc3)n2)c1C
InChIInChI=1S/C19H17BrN4O/c1-12-4-3-5-16(13(12)2)23-18(25)17-10-11-21-19(24-17)22-15-8-6-14(20)7-9-15/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFCPIUGLTTSWCOA-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

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

2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315471) 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-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315471
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(Nc3ccc(Br)cc3)n2)c1C
InChIInChI=1S/C19H17BrN4O/c1-12-4-3-5-16(13(12)2)23-18(25)17-10-11-21-19(24-17)22-15-8-6-14(20)7-9-15/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyFCPIUGLTTSWCOA-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-acetylanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315486
2-(2,3-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313512
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267158
N-(3-chloro-2-methylphenyl)-2-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109317094
N-(3-chloro-2-methylphenyl)-2-(4-ethylanilino)pyrimidine-4-carboxamide
CID 109315663
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
N-(2,3-dimethylphenyl)-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109315477
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315415
2-(4-methylanilino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109314065
N-(4-bromophenyl)-2-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109314848
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide (CID 109315471) is 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(Nc3ccc(Br)cc3)n2)c1C.
What is the InChIKey of 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is FCPIUGLTTSWCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-4-3-5-16(13(12)2)23-18(25)17-10-11-21-19(24-17)22-15-8-6-14(20)7-9-15/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide?
2-(4-bromoanilino)-N-(2,3-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-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).