3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine

C13H13ClFN3 — CID 113324801

IUPAC3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine
SMILESCNc1nc(C)c(C)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H13ClFN3/c1-7-8(2)18-13(16-3)12(17-7)9-4-5-11(15)10(14)6-9/h4-6H,1-3H3,(H,16,18)
InChIKeyNEPUQPZBZZYZCQ-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.59
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine

3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine (PubChem CID 113324801) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine
PubChem CID113324801
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine
SMILESCNc1nc(C)c(C)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H13ClFN3/c1-7-8(2)18-13(16-3)12(17-7)9-4-5-11(15)10(14)6-9/h4-6H,1-3H3,(H,16,18)
InChIKeyNEPUQPZBZZYZCQ-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-fluorophenyl)-5-fluoro-2-methyl-1,3-thiazole
CID 176575416
2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63617511
3,5-dichloro-6-(3-chloro-4-fluorophenyl)-N-ethylpyridin-2-amine
CID 102753798
6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823562
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
6-(3-chloro-4-fluorophenyl)-4,5-dimethyl-N-propylpyridazin-3-amine
CID 115504536
4-chloro-6-(3-chloro-4-fluorophenyl)-2-methylpyrimidine-5-carbaldehyde
CID 115504473
4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine
CID 113324753
3-(3-chloro-4-fluorophenyl)-1-methylpyrazol-4-amine
CID 83217060
[2-(3-chloro-4-fluorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]hydrazine
CID 55181402
4-chloro-6-(3-chloro-4-fluorophenyl)-2-cyclopropyl-5-methylpyrimidine
CID 113324783
3-(3-chloro-4-fluorophenyl)-1,4-dimethylpyrazol-5-amine
CID 82875760

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine (CID 113324801) is 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine is CNc1nc(C)c(C)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine?
The InChIKey is NEPUQPZBZZYZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-7-8(2)18-13(16-3)12(17-7)9-4-5-11(15)10(14)6-9/h4-6H,1-3H3,(H,16,18).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine?
3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine has a molecular weight of 265.72 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine is sourced from PubChem (CID 113324801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).