3-N-(4-propoxyphenyl)pyrazine-2,3-diamine

C13H16N4O — CID 102986304

IUPAC3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
SMILESCCCOc1ccc(Nc2nccnc2N)cc1
InChIInChI=1S/C13H16N4O/c1-2-9-18-11-5-3-10(4-6-11)17-13-12(14)15-7-8-16-13/h3-8H,2,9H2,1H3,(H2,14,15)(H,16,17)
InChIKeyKYLUMKGHXCASJD-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.59
Rot. Bonds5

About 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine

3-N-(4-propoxyphenyl)pyrazine-2,3-diamine (PubChem CID 102986304) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
PubChem CID102986304
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-N-(4-propoxyphenyl)pyrazine-2,3-diamine
SMILESCCCOc1ccc(Nc2nccnc2N)cc1
InChIInChI=1S/C13H16N4O/c1-2-9-18-11-5-3-10(4-6-11)17-13-12(14)15-7-8-16-13/h3-8H,2,9H2,1H3,(H2,14,15)(H,16,17)
InChIKeyKYLUMKGHXCASJD-UHFFFAOYSA-N
XLogP2.59
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
CID 80825854
3-amino-2-(4-propoxyanilino)pyridine-4-carbonitrile
CID 82816909
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723
2-(4-propoxyanilino)pyridine-3-carbothioamide
CID 62327992
2,6-dichloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 106890306
2-chloro-1-N-(4-propoxyphenyl)benzene-1,4-diamine
CID 62329507
5-chloro-2-N-methyl-4-N-(4-propoxyphenyl)pyrimidine-2,4-diamine
CID 80826861
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
5-chloro-2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908587
2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908069
4-N-(4-butoxyphenyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135400
7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
CID 110434470

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine (CID 102986304) is 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine is CCCOc1ccc(Nc2nccnc2N)cc1.
What is the InChIKey of 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine?
The InChIKey is KYLUMKGHXCASJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-9-18-11-5-3-10(4-6-11)17-13-12(14)15-7-8-16-13/h3-8H,2,9H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine?
3-N-(4-propoxyphenyl)pyrazine-2,3-diamine has a molecular weight of 244.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-propoxyphenyl)pyrazine-2,3-diamine is sourced from PubChem (CID 102986304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).