4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine

C20H24N6 — CID 58250620

IUPAC4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine
SMILESCc1nc(C)c(-c2nc(C)c(-c3nc(C)c(C)nc3C)c(C)n2)nc1C
InChIInChI=1S/C20H24N6/c1-9-11(3)23-18(15(7)21-9)17-13(5)25-20(26-14(17)6)19-16(8)22-10(2)12(4)24-19/h1-8H3
InChIKeyHHMOEAQITXCWBO-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.86
Rot. Bonds2

About 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine

4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine (PubChem CID 58250620) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine
PubChem CID58250620
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine
SMILESCc1nc(C)c(-c2nc(C)c(-c3nc(C)c(C)nc3C)c(C)n2)nc1C
InChIInChI=1S/C20H24N6/c1-9-11(3)23-18(15(7)21-9)17-13(5)25-20(26-14(17)6)19-16(8)22-10(2)12(4)24-19/h1-8H3
InChIKeyHHMOEAQITXCWBO-UHFFFAOYSA-N
XLogP3.86
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine?
The IUPAC name of 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine (CID 58250620) is 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine?
The canonical SMILES for 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine is Cc1nc(C)c(-c2nc(C)c(-c3nc(C)c(C)nc3C)c(C)n2)nc1C.
What is the InChIKey of 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine?
The InChIKey is HHMOEAQITXCWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-9-11(3)23-18(15(7)21-9)17-13(5)25-20(26-14(17)6)19-16(8)22-10(2)12(4)24-19/h1-8H3.
What are the key properties of 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine?
4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,5-bis(3,5,6-trimethylpyrazin-2-yl)pyrimidine is sourced from PubChem (CID 58250620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).