3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine

C15H17N3O — CID 114520332

IUPAC3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(N)c(-c2ccc(OC3CC3)cc2)nc1C
InChIInChI=1S/C15H17N3O/c1-9-10(2)18-15(16)14(17-9)11-3-5-12(6-4-11)19-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H2,16,18)
InChIKeyRYGMTDFIDOKOOX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.88
Rot. Bonds3

About 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine

3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine (PubChem CID 114520332) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine
PubChem CID114520332
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine
SMILESCc1nc(N)c(-c2ccc(OC3CC3)cc2)nc1C
InChIInChI=1S/C15H17N3O/c1-9-10(2)18-15(16)14(17-9)11-3-5-12(6-4-11)19-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H2,16,18)
InChIKeyRYGMTDFIDOKOOX-UHFFFAOYSA-N
XLogP2.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine?
The IUPAC name of 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine (CID 114520332) is 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine.
What is the SMILES notation for 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine?
The canonical SMILES for 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine is Cc1nc(N)c(-c2ccc(OC3CC3)cc2)nc1C.
What is the InChIKey of 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine?
The InChIKey is RYGMTDFIDOKOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-10(2)18-15(16)14(17-9)11-3-5-12(6-4-11)19-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H2,16,18).
What are the key properties of 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine?
3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine has a molecular weight of 255.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyloxyphenyl)-5,6-dimethylpyrazin-2-amine is sourced from PubChem (CID 114520332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).