N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide

C19H17BrN4O — CID 109313868

IUPACN-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)Nc3ccc(C)cc3Br)n2)c1
InChIInChI=1S/C19H17BrN4O/c1-12-4-3-5-14(10-12)22-19-21-9-8-17(24-19)18(25)23-16-7-6-13(2)11-15(16)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyCKHHGQQCUWRVPF-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide

N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109313868) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109313868
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2nccc(C(=O)Nc3ccc(C)cc3Br)n2)c1
InChIInChI=1S/C19H17BrN4O/c1-12-4-3-5-14(10-12)22-19-21-9-8-17(24-19)18(25)23-16-7-6-13(2)11-15(16)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyCKHHGQQCUWRVPF-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

N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313884
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
N-(2-bromophenyl)-2-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109314730
2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
CID 109303716
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
methyl 3-[[4-[(3-methylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109313951
2-(2,4-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313507
methyl 3-[[4-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109314939
2-(3-fluoroanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314152
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315169
2-(3-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316816

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide (CID 109313868) is N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2nccc(C(=O)Nc3ccc(C)cc3Br)n2)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is CKHHGQQCUWRVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-4-3-5-14(10-12)22-19-21-9-8-17(24-19)18(25)23-16-7-6-13(2)11-15(16)20/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)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 N-(2-bromo-4-methylphenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109313868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).