2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine

C15H17N3 — CID 83266351

IUPAC2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NCC2Cc3ccccc32)cc1N
InChIInChI=1S/C15H17N3/c1-10-8-17-15(7-14(10)16)18-9-12-6-11-4-2-3-5-13(11)12/h2-5,7-8,12H,6,9H2,1H3,(H3,16,17,18)
InChIKeyRGRNULWGCJIETN-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.72
Rot. Bonds3

About 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine

2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine (PubChem CID 83266351) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine
PubChem CID83266351
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine
SMILESCc1cnc(NCC2Cc3ccccc32)cc1N
InChIInChI=1S/C15H17N3/c1-10-8-17-15(7-14(10)16)18-9-12-6-11-4-2-3-5-13(11)12/h2-5,7-8,12H,6,9H2,1H3,(H3,16,17,18)
InChIKeyRGRNULWGCJIETN-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-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

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethylpyrimidin-4-amine
CID 61234216
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-methylpyridin-2-amine
CID 79717972
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80788844
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-6-methylpyridine-4-carbothioamide
CID 114767786
6-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]-N,N-dimethylpyridine-3-sulfonamide
CID 97256716
5-methyl-2-N-(oxan-4-ylmethyl)pyridine-2,4-diamine
CID 83265643
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methylpyridine-2,4-diamine
CID 83265353
5-methyl-2-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2,4-diamine
CID 83265906
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-fluorobenzene-1,2-diamine
CID 66396180
5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278553
4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylsulfanyl)-2-methylaniline
CID 79147573
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide
CID 66407159

Frequently Asked Questions

What is the IUPAC name of 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine?
The IUPAC name of 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine (CID 83266351) is 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine?
The canonical SMILES for 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine is Cc1cnc(NCC2Cc3ccccc32)cc1N.
What is the InChIKey of 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine?
The InChIKey is RGRNULWGCJIETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-10-8-17-15(7-14(10)16)18-9-12-6-11-4-2-3-5-13(11)12/h2-5,7-8,12H,6,9H2,1H3,(H3,16,17,18).
What are the key properties of 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine?
2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine has a molecular weight of 239.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 83266351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).