2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine

C14H17ClN4O — CID 107623581

IUPAC2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C14H17ClN4O/c1-3-6-17-13-8-16-9-14(19-13)18-10-4-5-11(15)12(7-10)20-2/h4-5,7-9H,3,6H2,1-2H3,(H2,17,18,19)
InChIKeyAFEIHTOYVLZHDW-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.70
Rot. Bonds6

About 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine

2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 107623581) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID107623581
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccc(Cl)c(OC)c2)n1
InChIInChI=1S/C14H17ClN4O/c1-3-6-17-13-8-16-9-14(19-13)18-10-4-5-11(15)12(7-10)20-2/h4-5,7-9H,3,6H2,1-2H3,(H2,17,18,19)
InChIKeyAFEIHTOYVLZHDW-UHFFFAOYSA-N
XLogP3.70
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
2-N-(1-benzothiophen-5-yl)-6-N-propylpyrazine-2,6-diamine
CID 80847555
2-N-(4-propoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 80799502
4-N-(4-chloro-3-methoxyphenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 107623596
4-N-(3-chloro-4-methoxyphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80762786
3-methoxy-4-[[6-(propylamino)pyrazin-2-yl]amino]benzonitrile
CID 104850186
6-chloro-N-propylpyrazin-2-amine
CID 26370207
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine (CID 107623581) is 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(Nc2ccc(Cl)c(OC)c2)n1.
What is the InChIKey of 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is AFEIHTOYVLZHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-3-6-17-13-8-16-9-14(19-13)18-10-4-5-11(15)12(7-10)20-2/h4-5,7-9H,3,6H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 292.77 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 107623581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).