N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine

C14H18N4 — CID 43136023

IUPACN'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
SMILESCc1ccccc1N(CCCN)c1cnccn1
InChIInChI=1S/C14H18N4/c1-12-5-2-3-6-13(12)18(10-4-7-15)14-11-16-8-9-17-14/h2-3,5-6,8-9,11H,4,7,10,15H2,1H3
InChIKeyKPDMIQCSQTUSOA-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.27
Rot. Bonds5

About N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine

N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine (PubChem CID 43136023) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
PubChem CID43136023
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
SMILESCc1ccccc1N(CCCN)c1cnccn1
InChIInChI=1S/C14H18N4/c1-12-5-2-3-6-13(12)18(10-4-7-15)14-11-16-8-9-17-14/h2-3,5-6,8-9,11H,4,7,10,15H2,1H3
InChIKeyKPDMIQCSQTUSOA-UHFFFAOYSA-N
XLogP2.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-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'-(3-fluorophenyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43136251
N'-(3-bromo-5-methyl-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 105366469
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
N'-imidazo[1,2-a]pyridin-5-yl-N'-(2-methylphenyl)propane-1,3-diamine
CID 102625132
3-[N-(3-aminopropyl)-2-methylanilino]-1-ethylpyrazin-2-one
CID 62938394
N'-(2-methylphenyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43318808
1-N,3-N,6-N,8-N-tetrakis(2-methylphenyl)-1-N,3-N,6-N,8-N-tetra(pyrazin-2-yl)pyrene-1,3,6,8-tetramine
CID 176881252
N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
CID 61251851
N'-(2-methoxyethyl)-N'-pyrazin-2-ylpropane-1,3-diamine
CID 63287295
N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine
CID 83063866
N'-cyclopropyl-N'-pyrazin-2-ylpropane-1,3-diamine
CID 43137158
3-(aminomethyl)-N-ethyl-N-(2-methylphenyl)pyridin-4-amine
CID 81249174

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine (CID 43136023) is N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine is Cc1ccccc1N(CCCN)c1cnccn1.
What is the InChIKey of N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine?
The InChIKey is KPDMIQCSQTUSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-12-5-2-3-6-13(12)18(10-4-7-15)14-11-16-8-9-17-14/h2-3,5-6,8-9,11H,4,7,10,15H2,1H3.
What are the key properties of N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine?
N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-N'-pyrazin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 43136023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).