6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide

C19H17BrN4O — CID 109356459

IUPAC6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)cc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-8-9-14(10-16(13)20)23-18-11-17(21-12-22-18)19(25)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeyJGMRLPCTMQLENP-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.57
Rot. Bonds4

About 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide

6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109356459) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109356459
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)cc1Br
InChIInChI=1S/C19H17BrN4O/c1-13-8-9-14(10-16(13)20)23-18-11-17(21-12-22-18)19(25)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22,23)
InChIKeyJGMRLPCTMQLENP-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356489
6-(4-acetamidoanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356477
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162361
6-(4-bromo-2-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356491
6-(2,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356432
N-methyl-N-phenyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109356472
N-methyl-N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356484
N-methyl-6-(methylamino)-N-phenylpyrimidine-4-carboxamide
CID 46178493
4-[[6-(3-bromo-4-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192965
6-[4-(diethylamino)-2-methylanilino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109356508
N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109347313
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide (CID 109356459) is 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)N(C)c3ccccc3)ncn2)cc1Br.
What is the InChIKey of 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is JGMRLPCTMQLENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-8-9-14(10-16(13)20)23-18-11-17(21-12-22-18)19(25)24(2)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide?
6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109356459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).