2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine

C20H26N2O2 — CID 25132935

IUPAC2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine
SMILESCC(C)COc1cc(/C=C/c2ccccc2)nc(OCC(C)C)n1
InChIInChI=1S/C20H26N2O2/c1-15(2)13-23-19-12-18(11-10-17-8-6-5-7-9-17)21-20(22-19)24-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3/b11-10+
InChIKeyYYKWRMLIYXDTSP-ZHACJKMWSA-N
MW326.44 g/mol
LogP4.72
Rot. Bonds8

About 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine

2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine (PubChem CID 25132935) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine
PubChem CID25132935
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine
SMILESCC(C)COc1cc(/C=C/c2ccccc2)nc(OCC(C)C)n1
InChIInChI=1S/C20H26N2O2/c1-15(2)13-23-19-12-18(11-10-17-8-6-5-7-9-17)21-20(22-19)24-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3/b11-10+
InChIKeyYYKWRMLIYXDTSP-ZHACJKMWSA-N
XLogP4.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine?
The IUPAC name of 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine (CID 25132935) is 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine.
What is the SMILES notation for 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine?
The canonical SMILES for 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine is CC(C)COc1cc(/C=C/c2ccccc2)nc(OCC(C)C)n1.
What is the InChIKey of 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine?
The InChIKey is YYKWRMLIYXDTSP-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)13-23-19-12-18(11-10-17-8-6-5-7-9-17)21-20(22-19)24-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3/b11-10+.
What are the key properties of 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine?
2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine has a molecular weight of 326.44 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-methylpropoxy)-6-[(E)-2-phenylethenyl]pyrimidine is sourced from PubChem (CID 25132935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).