N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine

C19H16BrN5 — CID 15952210

IUPACN-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3ccnc4c3ccn4C)n2)cc1Br
InChIInChI=1S/C19H16BrN5/c1-12-3-4-13(11-16(12)20)23-19-22-9-6-17(24-19)14-5-8-21-18-15(14)7-10-25(18)2/h3-11H,1-2H3,(H,22,23,24)
InChIKeyUTDZYQCUNSPOKI-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.84
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine

N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine (PubChem CID 15952210) has the molecular formula C19H16BrN5 and a molecular weight of 394.28 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
PubChem CID15952210
Molecular FormulaC19H16BrN5
Molecular Weight394.28 g/mol
Exact Mass393.06
IUPAC NameN-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(-c3ccnc4c3ccn4C)n2)cc1Br
InChIInChI=1S/C19H16BrN5/c1-12-3-4-13(11-16(12)20)23-19-22-9-6-17(24-19)14-5-8-21-18-15(14)7-10-25(18)2/h3-11H,1-2H3,(H,22,23,24)
InChIKeyUTDZYQCUNSPOKI-UHFFFAOYSA-N
XLogP4.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11473903
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813
2-N-(3-bromo-4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893750
N-(3-bromo-4-methylphenyl)-1-methylimidazol-2-amine
CID 106573027
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
2-N-(3-bromo-4-methylphenyl)-4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 112903672
4-[1-(2-aminoethyl)pyrrolo[2,3-b]pyridin-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 15952306
2-N-(3-bromo-4-methylphenyl)-4-N-butylpyrimidine-2,4-diamine
CID 112882918
2-N-(1,3-benzodioxol-5-yl)-4-N-(3-bromo-4-methylphenyl)pyrimidine-2,4-diamine
CID 112904503
N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875185
4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887204
8-N-(3-bromo-4-methylphenyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829555

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine (CID 15952210) is N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine is Cc1ccc(Nc2nccc(-c3ccnc4c3ccn4C)n2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
The InChIKey is UTDZYQCUNSPOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5/c1-12-3-4-13(11-16(12)20)23-19-22-9-6-17(24-19)14-5-8-21-18-15(14)7-10-25(18)2/h3-11H,1-2H3,(H,22,23,24).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine?
N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine has a molecular weight of 394.28 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 15952210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).