2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine

C15H19FN4 — CID 80801786

IUPAC2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-3-8-18-14-9-17-10-15(20-14)19-11(2)12-4-6-13(16)7-5-12/h4-7,9-11H,3,8H2,1-2H3,(H2,18,19,20)
InChIKeyDFAHZUAAZPYVQN-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.61
Rot. Bonds6

About 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine

2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine (PubChem CID 80801786) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
PubChem CID80801786
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-3-8-18-14-9-17-10-15(20-14)19-11(2)12-4-6-13(16)7-5-12/h4-7,9-11H,3,8H2,1-2H3,(H2,18,19,20)
InChIKeyDFAHZUAAZPYVQN-UHFFFAOYSA-N
XLogP3.61
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-propyl-2-N-(1-pyridin-2-ylethyl)pyrazine-2,6-diamine
CID 80781351
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
3-methyl-2-[[6-(propylamino)pyrazin-2-yl]amino]butan-1-ol
CID 80848976
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-N-propyl-6-(pyrazin-2-ylamino)pyridine-4-carboxamide
CID 46866024
2-N-(2-propan-2-yloxyethyl)-6-N-propylpyrazine-2,6-diamine
CID 104766984
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-N-propylpyrazine-2,6-diamine
CID 80801033
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80794812
2-N-(2-chloro-4-fluorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80757277
2-N-[2-[di(propan-2-yl)amino]ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80770603
2-N-octan-4-yl-6-N-propylpyrazine-2,6-diamine
CID 106028710
6-N,2-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 80940032
6-N-propyl-2-N-(2,2,2-trifluoroethyl)pyrazine-2,6-diamine
CID 80785273

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine (CID 80801786) is 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(NC(C)c2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine?
The InChIKey is DFAHZUAAZPYVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-8-18-14-9-17-10-15(20-14)19-11(2)12-4-6-13(16)7-5-12/h4-7,9-11H,3,8H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine?
2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80801786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).