2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine

C20H28N2O2 — CID 25132937

IUPAC2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine
SMILESCC(C)COc1cc(CCc2ccccc2)nc(OCC(C)C)n1
InChIInChI=1S/C20H28N2O2/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/h5-9,12,15-16H,10-11,13-14H2,1-4H3
InChIKeyQMBPHWNPINSFTF-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.33
Rot. Bonds9

About 2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine

2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine (PubChem CID 25132937) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine
PubChem CID25132937
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine
SMILESCC(C)COc1cc(CCc2ccccc2)nc(OCC(C)C)n1
InChIInChI=1S/C20H28N2O2/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/h5-9,12,15-16H,10-11,13-14H2,1-4H3
InChIKeyQMBPHWNPINSFTF-UHFFFAOYSA-N
XLogP4.33
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.33
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-(2-phenylethyl)pyrimidine?
The IUPAC name of 2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine (CID 25132937) is 2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine.
What is the SMILES notation for 2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine?
The canonical SMILES for 2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine is CC(C)COc1cc(CCc2ccccc2)nc(OCC(C)C)n1.
What is the InChIKey of 2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine?
The InChIKey is QMBPHWNPINSFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/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/h5-9,12,15-16H,10-11,13-14H2,1-4H3.
What are the key properties of 2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine?
2,4-bis(2-methylpropoxy)-6-(2-phenylethyl)pyrimidine has a molecular weight of 328.46 g/mol, XLogP of 4.33, 9 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-(2-phenylethyl)pyrimidine is sourced from PubChem (CID 25132937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).