4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine

C28H34N8 — CID 58281697

IUPAC4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine
SMILESCCCc1cc(-c2nc(CCC)cc(-c3nc(CCC)cc(-c4nccc(CCC)n4)n3)n2)ncn1
InChIInChI=1S/C28H34N8/c1-5-9-19-13-14-29-26(32-19)24-16-21(11-7-3)34-28(35-24)25-17-22(12-8-4)33-27(36-25)23-15-20(10-6-2)30-18-31-23/h13-18H,5-12H2,1-4H3
InChIKeyGZIBSOLRJMBVPJ-UHFFFAOYSA-N
MW482.64 g/mol
LogP5.66
Rot. Bonds11

About 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine

4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine (PubChem CID 58281697) has the molecular formula C28H34N8 and a molecular weight of 482.64 g/mol. Its IUPAC name is 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine.

Molecular Properties

Compound Name4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine
PubChem CID58281697
Molecular FormulaC28H34N8
Molecular Weight482.64 g/mol
Exact Mass482.29
IUPAC Name4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine
SMILESCCCc1cc(-c2nc(CCC)cc(-c3nc(CCC)cc(-c4nccc(CCC)n4)n3)n2)ncn1
InChIInChI=1S/C28H34N8/c1-5-9-19-13-14-29-26(32-19)24-16-21(11-7-3)34-28(35-24)25-17-22(12-8-4)33-27(36-25)23-15-20(10-6-2)30-18-31-23/h13-18H,5-12H2,1-4H3
InChIKeyGZIBSOLRJMBVPJ-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 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine?
The IUPAC name of 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine (CID 58281697) is 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine.
What is the SMILES notation for 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine?
The canonical SMILES for 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine is CCCc1cc(-c2nc(CCC)cc(-c3nc(CCC)cc(-c4nccc(CCC)n4)n3)n2)ncn1.
What is the InChIKey of 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine?
The InChIKey is GZIBSOLRJMBVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8/c1-5-9-19-13-14-29-26(32-19)24-16-21(11-7-3)34-28(35-24)25-17-22(12-8-4)33-27(36-25)23-15-20(10-6-2)30-18-31-23/h13-18H,5-12H2,1-4H3.
What are the key properties of 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine?
4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-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 4-propyl-2-[6-propyl-2-(6-propylpyrimidin-4-yl)pyrimidin-4-yl]-6-(4-propylpyrimidin-2-yl)pyrimidine is sourced from PubChem (CID 58281697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).