N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine

C14H16FN3 — CID 114475197

IUPACN-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCCc2ccccc2F)nc1C
InChIInChI=1S/C14H16FN3/c1-10-11(2)18-14(9-17-10)16-8-7-12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyJCONNMKRVYHWOP-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.89
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine

N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine (PubChem CID 114475197) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
PubChem CID114475197
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
SMILESCc1ncc(NCCc2ccccc2F)nc1C
InChIInChI=1S/C14H16FN3/c1-10-11(2)18-14(9-17-10)16-8-7-12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,18)
InChIKeyJCONNMKRVYHWOP-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine
CID 114475522
N-[2-(2-fluorophenyl)ethyl]-6-methylpyridazin-3-amine
CID 61311370
3-N-tert-butyl-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953397
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
6-bromo-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63963216
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
3-N-butyl-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112940107
methyl 6-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66457279
5-N-[2-(2-fluorophenyl)ethyl]-3-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112953428
2-N-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80785003
3-N-(2,6-difluorophenyl)-5-N-[2-(2-fluorophenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953498
4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861294

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine (CID 114475197) is N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine is Cc1ncc(NCCc2ccccc2F)nc1C.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
The InChIKey is JCONNMKRVYHWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10-11(2)18-14(9-17-10)16-8-7-12-5-3-4-6-13(12)15/h3-6,9H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine?
N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine has a molecular weight of 245.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114475197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).