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

C15H19FN4 — CID 80794812

IUPAC2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-3-8-18-14-9-17-10-15(19-14)20(2)11-12-4-6-13(16)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,18,19)
InChIKeyRTDIMKKATRXUCU-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.07
Rot. Bonds6

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

2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine (PubChem CID 80794812) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
PubChem CID80794812
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
SMILESCCCNc1cncc(N(C)Cc2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN4/c1-3-8-18-14-9-17-10-15(19-14)20(2)11-12-4-6-13(16)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,18,19)
InChIKeyRTDIMKKATRXUCU-UHFFFAOYSA-N
XLogP3.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-6-N-propyl-2-N-(pyridin-3-ylmethyl)pyrazine-2,6-diamine
CID 80787409
5-N-[(4-fluorophenyl)methyl]-5-N-methyl-3-N-propylpyridine-3,5-diamine
CID 104533243
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 54943226
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
6-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 66451652
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]-6-N-propylpyrazine-2,6-diamine
CID 80796320
2-N-methyl-2-N-(2-methylsulfanylethyl)-6-N-propylpyrazine-2,6-diamine
CID 112667733
6-N-[(4-chlorophenyl)methyl]-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80794389
4-N-[(4-fluorophenyl)methyl]-4-N,5-dimethyl-2-N-propylpyrimidine-2,4-diamine
CID 80777490
N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyrazin-2-amine
CID 80895829
2-N-[1-(4-fluorophenyl)ethyl]-6-N-propylpyrazine-2,6-diamine
CID 80801786
4-[[(4-fluorophenyl)methyl-methylamino]methyl]-N-propylpyridin-2-amine
CID 62464531

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine (CID 80794812) is 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine is CCCNc1cncc(N(C)Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
The InChIKey is RTDIMKKATRXUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-3-8-18-14-9-17-10-15(19-14)20(2)11-12-4-6-13(16)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,18,19).
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine?
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine has a molecular weight of 274.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine is sourced from PubChem (CID 80794812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).