2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine

C16H22N4O — CID 80799502

IUPAC2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccc(OCCC)cc2)n1
InChIInChI=1S/C16H22N4O/c1-3-9-18-15-11-17-12-16(20-15)19-13-5-7-14(8-6-13)21-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyZEZWHNANCSBXFT-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.83
Rot. Bonds8

About 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine

2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 80799502) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID80799502
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccc(OCCC)cc2)n1
InChIInChI=1S/C16H22N4O/c1-3-9-18-15-11-17-12-16(20-15)19-13-5-7-14(8-6-13)21-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyZEZWHNANCSBXFT-UHFFFAOYSA-N
XLogP3.83
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[6-(propylamino)pyrazin-2-yl]amino]phenyl]acetonitrile
CID 80822691
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 107623581
6-(4-ethoxyphenoxy)-N-propylpyrazin-2-amine
CID 80862814
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
2-N-(4-tert-butylphenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80763352
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
6-N-ethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrazine-2,6-diamine
CID 80768969
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine (CID 80799502) is 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(Nc2ccc(OCCC)cc2)n1.
What is the InChIKey of 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is ZEZWHNANCSBXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-9-18-15-11-17-12-16(20-15)19-13-5-7-14(8-6-13)21-10-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80799502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).