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

C17H16BrN5 — CID 112919180

IUPAC2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccn2)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C17H16BrN5/c1-12-10-16(20-11-15-4-2-3-9-19-15)23-17(21-12)22-14-7-5-13(18)6-8-14/h2-10H,11H2,1H3,(H2,20,21,22,23)
InChIKeyQXWRMJSEDXLDIX-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.30
Rot. Bonds5

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

2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112919180) has the molecular formula C17H16BrN5 and a molecular weight of 370.25 g/mol. Its IUPAC name is 2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112919180
Molecular FormulaC17H16BrN5
Molecular Weight370.25 g/mol
Exact Mass369.06
IUPAC Name2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccn2)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C17H16BrN5/c1-12-10-16(20-11-15-4-2-3-9-19-15)23-17(21-12)22-14-7-5-13(18)6-8-14/h2-10H,11H2,1H3,(H2,20,21,22,23)
InChIKeyQXWRMJSEDXLDIX-UHFFFAOYSA-N
XLogP4.30
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
6-methyl-2-N-(4-propan-2-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919161
2-N-(3,4-difluorophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919248
6-methyl-2-N-(4-piperidin-1-ylphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919208
ethyl 4-[[4-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112919225
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
2-N-(2,5-dimethylphenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919151
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919308
6-methyl-2-N-(2-phenoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919228
4-N-(4-bromophenyl)-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112860644
2-N-(4-methoxyphenyl)-6-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 117083512
2-N-[(2-fluorophenyl)methyl]-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112917338

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 112919180) is 2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCc2ccccn2)nc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of 2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is QXWRMJSEDXLDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5/c1-12-10-16(20-11-15-4-2-3-9-19-15)23-17(21-12)22-14-7-5-13(18)6-8-14/h2-10H,11H2,1H3,(H2,20,21,22,23).
What are the key properties of 2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 370.25 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromophenyl)-6-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112919180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).