4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

C16H14BrN5 — CID 112860644

IUPAC4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESBrc1ccc(Nc2cc(NCc3ccccn3)ncn2)cc1
InChIInChI=1S/C16H14BrN5/c17-12-4-6-13(7-5-12)22-16-9-15(20-11-21-16)19-10-14-3-1-2-8-18-14/h1-9,11H,10H2,(H2,19,20,21,22)
InChIKeyJPABMPBJZPIIDQ-UHFFFAOYSA-N
MW356.23 g/mol
LogP3.99
Rot. Bonds5

About 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine

4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112860644) has the molecular formula C16H14BrN5 and a molecular weight of 356.23 g/mol. Its IUPAC name is 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112860644
Molecular FormulaC16H14BrN5
Molecular Weight356.23 g/mol
Exact Mass355.04
IUPAC Name4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
SMILESBrc1ccc(Nc2cc(NCc3ccccn3)ncn2)cc1
InChIInChI=1S/C16H14BrN5/c17-12-4-6-13(7-5-12)22-16-9-15(20-11-21-16)19-10-14-3-1-2-8-18-14/h1-9,11H,10H2,(H2,19,20,21,22)
InChIKeyJPABMPBJZPIIDQ-UHFFFAOYSA-N
XLogP3.99
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.23
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine 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

4-N-(3,5-dichlorophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860699
ethyl 4-[[6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzoate
CID 112860689
2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919180
3-[[6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]amino]benzoic acid
CID 113193062
4-N-(3-bromophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873333
6-methylsulfanyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 106972572
4-N-(4-bromophenyl)-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861329
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856761
6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 117091899
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
4-N-(4-chlorophenyl)-2-phenyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112881334

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine (CID 112860644) is 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is Brc1ccc(Nc2cc(NCc3ccccn3)ncn2)cc1.
What is the InChIKey of 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is JPABMPBJZPIIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5/c17-12-4-6-13(7-5-12)22-16-9-15(20-11-21-16)19-10-14-3-1-2-8-18-14/h1-9,11H,10H2,(H2,19,20,21,22).
What are the key properties of 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 356.23 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112860644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).