3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine

C14H16FN3O — CID 77082693

IUPAC3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine
SMILESCNc1nccnc1-c1cc(F)cc(OC(C)C)c1
InChIInChI=1S/C14H16FN3O/c1-9(2)19-12-7-10(6-11(15)8-12)13-14(16-3)18-5-4-17-13/h4-9H,1-3H3,(H,16,18)
InChIKeyPFOREWANBKUUKU-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.11
Rot. Bonds4

About 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine

3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine (PubChem CID 77082693) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine
PubChem CID77082693
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine
SMILESCNc1nccnc1-c1cc(F)cc(OC(C)C)c1
InChIInChI=1S/C14H16FN3O/c1-9(2)19-12-7-10(6-11(15)8-12)13-14(16-3)18-5-4-17-13/h4-9H,1-3H3,(H,16,18)
InChIKeyPFOREWANBKUUKU-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine?
The IUPAC name of 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine (CID 77082693) is 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine is CNc1nccnc1-c1cc(F)cc(OC(C)C)c1.
What is the InChIKey of 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine?
The InChIKey is PFOREWANBKUUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9(2)19-12-7-10(6-11(15)8-12)13-14(16-3)18-5-4-17-13/h4-9H,1-3H3,(H,16,18).
What are the key properties of 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine?
3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine has a molecular weight of 261.30 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-propan-2-yloxyphenyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 77082693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).