2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine

C13H14ClFN4 — CID 80757277

IUPAC2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H14ClFN4/c1-2-5-17-12-7-16-8-13(19-12)18-11-4-3-9(15)6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,17,18,19)
InChIKeyUZUJPLFCJJAICE-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.83
Rot. Bonds5

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

2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine (PubChem CID 80757277) has the molecular formula C13H14ClFN4 and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
PubChem CID80757277
Molecular FormulaC13H14ClFN4
Molecular Weight280.73 g/mol
Exact Mass280.09
IUPAC Name2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H14ClFN4/c1-2-5-17-12-7-16-8-13(19-12)18-11-4-3-9(15)6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,17,18,19)
InChIKeyUZUJPLFCJJAICE-UHFFFAOYSA-N
XLogP3.83
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
2-N-(3-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80755290
2-N-(4-chloro-3-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80803011
6-N-(2-chloro-5-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 107531766
2-N-(2-bromo-5-chloro-4-methylphenyl)-6-N-propylpyrazine-2,6-diamine
CID 104725516
6-N-propyl-2-N-(3,4,5-trifluorophenyl)pyrazine-2,6-diamine
CID 80825542
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
6-N-propyl-2-N-[2-(trifluoromethyl)phenyl]pyrazine-2,6-diamine
CID 80736801
2-N-(4-chloro-3-methoxyphenyl)-6-N-propylpyrazine-2,6-diamine
CID 107623581
5-N-(2,4-dichlorophenyl)-3-N-propylpyridine-3,5-diamine
CID 104532123
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
CID 114734823

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine (CID 80757277) is 2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(Nc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine?
The InChIKey is UZUJPLFCJJAICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4/c1-2-5-17-12-7-16-8-13(19-12)18-11-4-3-9(15)6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,17,18,19).
What are the key properties of 2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine?
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine has a molecular weight of 280.73 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80757277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).