2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine

C20H24N6 — CID 58250667

IUPAC2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine
SMILESCCCc1nc(-c2ncc(C)cn2)c(CCC)nc1-c1ncc(C)cn1
InChIInChI=1S/C20H24N6/c1-5-7-15-17(19-21-9-13(3)10-22-19)26-16(8-6-2)18(25-15)20-23-11-14(4)12-24-20/h9-12H,5-8H2,1-4H3
InChIKeyBPVFOOLDXKRPNG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.91
Rot. Bonds6

About 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine

2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine (PubChem CID 58250667) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine.

Molecular Properties

Compound Name2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine
PubChem CID58250667
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine
SMILESCCCc1nc(-c2ncc(C)cn2)c(CCC)nc1-c1ncc(C)cn1
InChIInChI=1S/C20H24N6/c1-5-7-15-17(19-21-9-13(3)10-22-19)26-16(8-6-2)18(25-15)20-23-11-14(4)12-24-20/h9-12H,5-8H2,1-4H3
InChIKeyBPVFOOLDXKRPNG-UHFFFAOYSA-N
XLogP3.91
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine?
The IUPAC name of 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine (CID 58250667) is 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine.
What is the SMILES notation for 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine?
The canonical SMILES for 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine is CCCc1nc(-c2ncc(C)cn2)c(CCC)nc1-c1ncc(C)cn1.
What is the InChIKey of 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine?
The InChIKey is BPVFOOLDXKRPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-5-7-15-17(19-21-9-13(3)10-22-19)26-16(8-6-2)18(25-15)20-23-11-14(4)12-24-20/h9-12H,5-8H2,1-4H3.
What are the key properties of 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine?
2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine has a molecular weight of 348.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-methylpyrimidin-2-yl)-3,6-dipropylpyrazine is sourced from PubChem (CID 58250667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).