2-N-(4-propylphenyl)pyrazine-2,5-diamine

C13H16N4 — CID 80653384

IUPAC2-N-(4-propylphenyl)pyrazine-2,5-diamine
SMILESCCCc1ccc(Nc2cnc(N)cn2)cc1
InChIInChI=1S/C13H16N4/c1-2-3-10-4-6-11(7-5-10)17-13-9-15-12(14)8-16-13/h4-9H,2-3H2,1H3,(H2,14,15)(H,16,17)
InChIKeySGVSHJHDOLMEQN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.75
Rot. Bonds4

About 2-N-(4-propylphenyl)pyrazine-2,5-diamine

2-N-(4-propylphenyl)pyrazine-2,5-diamine (PubChem CID 80653384) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-N-(4-propylphenyl)pyrazine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-propylphenyl)pyrazine-2,5-diamine
PubChem CID80653384
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-N-(4-propylphenyl)pyrazine-2,5-diamine
SMILESCCCc1ccc(Nc2cnc(N)cn2)cc1
InChIInChI=1S/C13H16N4/c1-2-3-10-4-6-11(7-5-10)17-13-9-15-12(14)8-16-13/h4-9H,2-3H2,1H3,(H2,14,15)(H,16,17)
InChIKeySGVSHJHDOLMEQN-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-propylanilino)pyrazine-2-carboxylic acid
CID 107372323
2-N-phenylpyrazine-2,5-diamine
CID 80652109
6-N-(4-propylphenyl)pyridine-2,3,6-triamine
CID 79827008
6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894746
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
CID 80652758
N-methyl-5-propylpyridin-2-amine
CID 88974517
6-amino-N-(4-propylphenyl)pyridine-3-carboxamide
CID 62154771
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 55053308
2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780741

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-propylphenyl)pyrazine-2,5-diamine?
The IUPAC name of 2-N-(4-propylphenyl)pyrazine-2,5-diamine (CID 80653384) is 2-N-(4-propylphenyl)pyrazine-2,5-diamine.
What is the SMILES notation for 2-N-(4-propylphenyl)pyrazine-2,5-diamine?
The canonical SMILES for 2-N-(4-propylphenyl)pyrazine-2,5-diamine is CCCc1ccc(Nc2cnc(N)cn2)cc1.
What is the InChIKey of 2-N-(4-propylphenyl)pyrazine-2,5-diamine?
The InChIKey is SGVSHJHDOLMEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-3-10-4-6-11(7-5-10)17-13-9-15-12(14)8-16-13/h4-9H,2-3H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-N-(4-propylphenyl)pyrazine-2,5-diamine?
2-N-(4-propylphenyl)pyrazine-2,5-diamine has a molecular weight of 228.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-propylphenyl)pyrazine-2,5-diamine is sourced from PubChem (CID 80653384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).