N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide

C19H17BrN4O — CID 109266961

IUPACN-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(Nc2ncc(C(=O)Nc3ccccc3Br)cn2)c1
InChIInChI=1S/C19H17BrN4O/c1-12-7-13(2)9-15(8-12)23-19-21-10-14(11-22-19)18(25)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyBAAYEDUSDCIQFH-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.85
Rot. Bonds4

About N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide

N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109266961) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
PubChem CID109266961
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cc(C)cc(Nc2ncc(C(=O)Nc3ccccc3Br)cn2)c1
InChIInChI=1S/C19H17BrN4O/c1-12-7-13(2)9-15(8-12)23-19-21-10-14(11-22-19)18(25)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyBAAYEDUSDCIQFH-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-(3,5-dimethylanilino)-N-(2,3-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266911
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270417
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734
N-(3,5-dimethylphenyl)-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109265774
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
N-(2-bromophenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108807886
2-(3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109266917
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
2-(2-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265378

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide (CID 109266961) is N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide is Cc1cc(C)cc(Nc2ncc(C(=O)Nc3ccccc3Br)cn2)c1.
What is the InChIKey of N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is BAAYEDUSDCIQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-12-7-13(2)9-15(8-12)23-19-21-10-14(11-22-19)18(25)24-17-6-4-3-5-16(17)20/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide?
N-(2-bromophenyl)-2-(3,5-dimethylanilino)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 N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109266961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).