2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine

C26H36N6 — CID 58250607

IUPAC2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine
SMILESCCCc1nc(-c2nc(CCC)c(-c3ncc(C)c(CCC)n3)nc2CCC)ncc1C
InChIInChI=1S/C26H36N6/c1-7-11-19-17(5)15-27-25(31-19)23-21(13-9-3)30-24(22(29-23)14-10-4)26-28-16-18(6)20(32-26)12-8-2/h15-16H,7-14H2,1-6H3
InChIKeyWHTJQNDPUVSJHY-UHFFFAOYSA-N
MW432.62 g/mol
LogP5.82
Rot. Bonds10

About 2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine

2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine (PubChem CID 58250607) has the molecular formula C26H36N6 and a molecular weight of 432.62 g/mol. Its IUPAC name is 2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine.

Molecular Properties

Compound Name2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine
PubChem CID58250607
Molecular FormulaC26H36N6
Molecular Weight432.62 g/mol
Exact Mass432.30
IUPAC Name2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine
SMILESCCCc1nc(-c2nc(CCC)c(-c3ncc(C)c(CCC)n3)nc2CCC)ncc1C
InChIInChI=1S/C26H36N6/c1-7-11-19-17(5)15-27-25(31-19)23-21(13-9-3)30-24(22(29-23)14-10-4)26-28-16-18(6)20(32-26)12-8-2/h15-16H,7-14H2,1-6H3
InChIKeyWHTJQNDPUVSJHY-UHFFFAOYSA-N
XLogP5.82
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.62
LogP ≤ 55.82
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-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine?
The IUPAC name of 2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine (CID 58250607) is 2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine.
What is the SMILES notation for 2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine?
The canonical SMILES for 2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine is CCCc1nc(-c2nc(CCC)c(-c3ncc(C)c(CCC)n3)nc2CCC)ncc1C.
What is the InChIKey of 2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine?
The InChIKey is WHTJQNDPUVSJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6/c1-7-11-19-17(5)15-27-25(31-19)23-21(13-9-3)30-24(22(29-23)14-10-4)26-28-16-18(6)20(32-26)12-8-2/h15-16H,7-14H2,1-6H3.
What are the key properties of 2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine?
2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine has a molecular weight of 432.62 g/mol, XLogP of 5.82, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-methyl-4-propylpyrimidin-2-yl)-3,6-dipropylpyrazine is sourced from PubChem (CID 58250607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).