2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine

C34H46N8 — CID 58250635

IUPAC2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine
SMILESCCCc1cnc(CCC)c(-c2cc(-c3nc(CCC)cnc3CCC)nc(-c3nc(CCC)cnc3CCC)n2)n1
InChIInChI=1S/C34H46N8/c1-7-13-23-20-35-26(16-10-4)31(38-23)29-19-30(32-27(17-11-5)36-21-24(39-32)14-8-2)42-34(41-29)33-28(18-12-6)37-22-25(40-33)15-9-3/h19-22H,7-18H2,1-6H3
InChIKeyWIYPPCAKUGHZPP-UHFFFAOYSA-N
MW566.80 g/mol
LogP7.56
Rot. Bonds15

About 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine

2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine (PubChem CID 58250635) has the molecular formula C34H46N8 and a molecular weight of 566.80 g/mol. Its IUPAC name is 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine
PubChem CID58250635
Molecular FormulaC34H46N8
Molecular Weight566.80 g/mol
Exact Mass566.38
IUPAC Name2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine
SMILESCCCc1cnc(CCC)c(-c2cc(-c3nc(CCC)cnc3CCC)nc(-c3nc(CCC)cnc3CCC)n2)n1
InChIInChI=1S/C34H46N8/c1-7-13-23-20-35-26(16-10-4)31(38-23)29-19-30(32-27(17-11-5)36-21-24(39-32)14-8-2)42-34(41-29)33-28(18-12-6)37-22-25(40-33)15-9-3/h19-22H,7-18H2,1-6H3
InChIKeyWIYPPCAKUGHZPP-UHFFFAOYSA-N
XLogP7.56
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.80
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine?
The IUPAC name of 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine (CID 58250635) is 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine.
What is the SMILES notation for 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine?
The canonical SMILES for 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine is CCCc1cnc(CCC)c(-c2cc(-c3nc(CCC)cnc3CCC)nc(-c3nc(CCC)cnc3CCC)n2)n1.
What is the InChIKey of 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine?
The InChIKey is WIYPPCAKUGHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N8/c1-7-13-23-20-35-26(16-10-4)31(38-23)29-19-30(32-27(17-11-5)36-21-24(39-32)14-8-2)42-34(41-29)33-28(18-12-6)37-22-25(40-33)15-9-3/h19-22H,7-18H2,1-6H3.
What are the key properties of 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine?
2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine has a molecular weight of 566.80 g/mol, XLogP of 7.56, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(3,6-dipropylpyrazin-2-yl)pyrimidine is sourced from PubChem (CID 58250635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).