5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine

C28H34N8 — CID 58281704

IUPAC5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine
SMILESCCCc1cnc(-c2nc(-c3nc(-c4ncncc4CCC)ncc3CCC)ncc2CCC)nc1
InChIInChI=1S/C28H34N8/c1-5-9-19-13-30-26(31-14-19)24-21(11-7-3)16-33-28(35-24)25-22(12-8-4)17-32-27(36-25)23-20(10-6-2)15-29-18-34-23/h13-18H,5-12H2,1-4H3
InChIKeyOWFWAJYXFMAXOD-UHFFFAOYSA-N
MW482.64 g/mol
LogP5.66
Rot. Bonds11

About 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine

5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine (PubChem CID 58281704) has the molecular formula C28H34N8 and a molecular weight of 482.64 g/mol. Its IUPAC name is 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine.

Molecular Properties

Compound Name5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine
PubChem CID58281704
Molecular FormulaC28H34N8
Molecular Weight482.64 g/mol
Exact Mass482.29
IUPAC Name5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine
SMILESCCCc1cnc(-c2nc(-c3nc(-c4ncncc4CCC)ncc3CCC)ncc2CCC)nc1
InChIInChI=1S/C28H34N8/c1-5-9-19-13-30-26(31-14-19)24-21(11-7-3)16-33-28(35-24)25-22(12-8-4)17-32-27(36-25)23-20(10-6-2)15-29-18-34-23/h13-18H,5-12H2,1-4H3
InChIKeyOWFWAJYXFMAXOD-UHFFFAOYSA-N
XLogP5.66
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.64
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine?
The IUPAC name of 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine (CID 58281704) is 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine.
What is the SMILES notation for 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine?
The canonical SMILES for 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine is CCCc1cnc(-c2nc(-c3nc(-c4ncncc4CCC)ncc3CCC)ncc2CCC)nc1.
What is the InChIKey of 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine?
The InChIKey is OWFWAJYXFMAXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8/c1-5-9-19-13-30-26(31-14-19)24-21(11-7-3)16-33-28(35-24)25-22(12-8-4)17-32-27(36-25)23-20(10-6-2)15-29-18-34-23/h13-18H,5-12H2,1-4H3.
What are the key properties of 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine?
5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine has a molecular weight of 482.64 g/mol, XLogP of 5.66, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[5-propyl-2-(5-propylpyrimidin-4-yl)pyrimidin-4-yl]-4-(5-propylpyrimidin-2-yl)pyrimidine is sourced from PubChem (CID 58281704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).