4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine

C15H16N2O — CID 130258482

IUPAC4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCc1nc(C(C)(C)C)c2c(n1)oc1ccccc12
InChIInChI=1S/C15H16N2O/c1-9-16-13(15(2,3)4)12-10-7-5-6-8-11(10)18-14(12)17-9/h5-8H,1-4H3
InChIKeyHBLIWHRLXADSHS-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.98
Rot. Bonds

About 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine

4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 130258482) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID130258482
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCc1nc(C(C)(C)C)c2c(n1)oc1ccccc12
InChIInChI=1S/C15H16N2O/c1-9-16-13(15(2,3)4)12-10-7-5-6-8-11(10)18-14(12)17-9/h5-8H,1-4H3
InChIKeyHBLIWHRLXADSHS-UHFFFAOYSA-N
XLogP3.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-methyl-[1]benzofuro[2,3-d]pyrimidine
CID 130259284
2-methyl-4-(trifluoromethyl)-[1]benzofuro[2,3-b]pyridine
CID 24814733
2-tert-butyl-3-phenyl-[1]benzofuro[2,3-b]pyrazine
CID 167353771
4-methyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 130265836
1-tert-butyldibenzofuran
CID 59078665
2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130266702
2-methyl-[1]benzofuro[2,3-b]pyridine-4-carbohydrazide
CID 134833517
1-(1,1-difluoroethyl)-4-(2-phenylethynyl)dibenzofuran
CID 178015998
2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 142487813
2-chloro-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 118543898
2-(2-methylbutan-2-yl)-4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 166969620
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine (CID 130258482) is 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine is Cc1nc(C(C)(C)C)c2c(n1)oc1ccccc12.
What is the InChIKey of 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is HBLIWHRLXADSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-9-16-13(15(2,3)4)12-10-7-5-6-8-11(10)18-14(12)17-9/h5-8H,1-4H3.
What are the key properties of 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine?
4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 240.31 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-methyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 130258482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).