2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine

C20H30N4 — CID 126702707

IUPAC2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine
SMILESCc1ccnc(CC(C)(C)CCc2cncc(CC(C)(C)C)n2)n1
InChIInChI=1S/C20H30N4/c1-15-8-10-22-18(23-15)12-20(5,6)9-7-16-13-21-14-17(24-16)11-19(2,3)4/h8,10,13-14H,7,9,11-12H2,1-6H3
InChIKeyZZUBSZGUKQMVNO-UHFFFAOYSA-N
MW326.49 g/mol
LogP4.37
Rot. Bonds6

About 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine

2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine (PubChem CID 126702707) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine.

Molecular Properties

Compound Name2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine
PubChem CID126702707
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine
SMILESCc1ccnc(CC(C)(C)CCc2cncc(CC(C)(C)C)n2)n1
InChIInChI=1S/C20H30N4/c1-15-8-10-22-18(23-15)12-20(5,6)9-7-16-13-21-14-17(24-16)11-19(2,3)4/h8,10,13-14H,7,9,11-12H2,1-6H3
InChIKeyZZUBSZGUKQMVNO-UHFFFAOYSA-N
XLogP4.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine?
The IUPAC name of 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine (CID 126702707) is 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine.
What is the SMILES notation for 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine?
The canonical SMILES for 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine is Cc1ccnc(CC(C)(C)CCc2cncc(CC(C)(C)C)n2)n1.
What is the InChIKey of 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine?
The InChIKey is ZZUBSZGUKQMVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-15-8-10-22-18(23-15)12-20(5,6)9-7-16-13-21-14-17(24-16)11-19(2,3)4/h8,10,13-14H,7,9,11-12H2,1-6H3.
What are the key properties of 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine?
2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine has a molecular weight of 326.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-4-(4-methylpyrimidin-2-yl)butyl]-6-(2,2-dimethylpropyl)pyrazine is sourced from PubChem (CID 126702707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).