5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine

C16H22N2O — CID 174193996

IUPAC5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine
SMILESCC(C)(C)c1cnc(-c2cocc2C(C)(C)C)nc1
InChIInChI=1S/C16H22N2O/c1-15(2,3)11-7-17-14(18-8-11)12-9-19-10-13(12)16(4,5)6/h7-10H,1-6H3
InChIKeySKZNVGIFCHMFEH-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.33
Rot. Bonds1

About 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine

5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine (PubChem CID 174193996) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine
PubChem CID174193996
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine
SMILESCC(C)(C)c1cnc(-c2cocc2C(C)(C)C)nc1
InChIInChI=1S/C16H22N2O/c1-15(2,3)11-7-17-14(18-8-11)12-9-19-10-13(12)16(4,5)6/h7-10H,1-6H3
InChIKeySKZNVGIFCHMFEH-UHFFFAOYSA-N
XLogP4.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine?
The IUPAC name of 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine (CID 174193996) is 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine.
What is the SMILES notation for 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine?
The canonical SMILES for 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine is CC(C)(C)c1cnc(-c2cocc2C(C)(C)C)nc1.
What is the InChIKey of 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine?
The InChIKey is SKZNVGIFCHMFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-15(2,3)11-7-17-14(18-8-11)12-9-19-10-13(12)16(4,5)6/h7-10H,1-6H3.
What are the key properties of 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine?
5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine has a molecular weight of 258.36 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(4-tert-butylfuran-3-yl)pyrimidine is sourced from PubChem (CID 174193996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).