2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine

C16H22N4 — CID 166909896

IUPAC2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine
SMILESCc1cnc(C(C)CCc2cncc(C(C)C)n2)cn1
InChIInChI=1S/C16H22N4/c1-11(2)15-9-17-8-14(20-15)6-5-12(3)16-10-18-13(4)7-19-16/h7-12H,5-6H2,1-4H3
InChIKeyVABUOYWURZWTRR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.43
Rot. Bonds5

About 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine

2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine (PubChem CID 166909896) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine
PubChem CID166909896
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine
SMILESCc1cnc(C(C)CCc2cncc(C(C)C)n2)cn1
InChIInChI=1S/C16H22N4/c1-11(2)15-9-17-8-14(20-15)6-5-12(3)16-10-18-13(4)7-19-16/h7-12H,5-6H2,1-4H3
InChIKeyVABUOYWURZWTRR-UHFFFAOYSA-N
XLogP3.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine?
The IUPAC name of 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine (CID 166909896) is 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine.
What is the SMILES notation for 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine?
The canonical SMILES for 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine is Cc1cnc(C(C)CCc2cncc(C(C)C)n2)cn1.
What is the InChIKey of 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine?
The InChIKey is VABUOYWURZWTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)15-9-17-8-14(20-15)6-5-12(3)16-10-18-13(4)7-19-16/h7-12H,5-6H2,1-4H3.
What are the key properties of 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine?
2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine has a molecular weight of 270.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(6-propan-2-ylpyrazin-2-yl)butan-2-yl]pyrazine is sourced from PubChem (CID 166909896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).