5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine

C16H18N2O — CID 12720265

IUPAC5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine
SMILESCC1(C)OC(C)(C)c2nc(-c3ccccc3)ncc21
InChIInChI=1S/C16H18N2O/c1-15(2)12-10-17-14(11-8-6-5-7-9-11)18-13(12)16(3,4)19-15/h5-10H,1-4H3
InChIKeyFGHHBRFGIKBLCQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.64
Rot. Bonds1

About 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine

5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine (PubChem CID 12720265) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine
PubChem CID12720265
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine
SMILESCC1(C)OC(C)(C)c2nc(-c3ccccc3)ncc21
InChIInChI=1S/C16H18N2O/c1-15(2)12-10-17-14(11-8-6-5-7-9-11)18-13(12)16(3,4)19-15/h5-10H,1-4H3
InChIKeyFGHHBRFGIKBLCQ-UHFFFAOYSA-N
XLogP3.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine?
The IUPAC name of 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine (CID 12720265) is 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine.
What is the SMILES notation for 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine?
The canonical SMILES for 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine is CC1(C)OC(C)(C)c2nc(-c3ccccc3)ncc21.
What is the InChIKey of 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine?
The InChIKey is FGHHBRFGIKBLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-15(2)12-10-17-14(11-8-6-5-7-9-11)18-13(12)16(3,4)19-15/h5-10H,1-4H3.
What are the key properties of 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine?
5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine has a molecular weight of 254.33 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-2-phenylfuro[3,4-d]pyrimidine is sourced from PubChem (CID 12720265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).