N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide

C18H15BrN4O — CID 109265801

IUPACN-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)Nc3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C18H15BrN4O/c1-12-2-6-16(7-3-12)23-18-20-10-13(11-21-18)17(24)22-15-8-4-14(19)5-9-15/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyXVBBZPWRCAGROT-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.54
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide

N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide (PubChem CID 109265801) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
PubChem CID109265801
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC NameN-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)Nc3ccc(Br)cc3)cn2)cc1
InChIInChI=1S/C18H15BrN4O/c1-12-2-6-16(7-3-12)23-18-20-10-13(11-21-18)17(24)22-15-8-4-14(19)5-9-15/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyXVBBZPWRCAGROT-UHFFFAOYSA-N
XLogP4.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidoanilino)-N-(4-methylphenyl)pyrimidine-5-carboxamide
CID 109265724
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
N-(4-bromophenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109268536
2-(4-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266398
2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109269397
2-(4-bromoanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267158
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
N-(4-acetamidophenyl)-2-(4-acetylanilino)pyrimidine-5-carboxamide
CID 109270119

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide (CID 109265801) is N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)Nc3ccc(Br)cc3)cn2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide?
The InChIKey is XVBBZPWRCAGROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c1-12-2-6-16(7-3-12)23-18-20-10-13(11-21-18)17(24)22-15-8-4-14(19)5-9-15/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide?
N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109265801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).