4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine

C13H20N2O — CID 59634351

IUPAC4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine
SMILESCc1nc2c(c(C(C)(C)C)n1)CC(C)(C)O2
InChIInChI=1S/C13H20N2O/c1-8-14-10(12(2,3)4)9-7-13(5,6)16-11(9)15-8/h7H2,1-6H3
InChIKeyPQOWBAJFOWEDBJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.80
Rot. Bonds

About 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine

4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine (PubChem CID 59634351) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine
PubChem CID59634351
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine
SMILESCc1nc2c(c(C(C)(C)C)n1)CC(C)(C)O2
InChIInChI=1S/C13H20N2O/c1-8-14-10(12(2,3)4)9-7-13(5,6)16-11(9)15-8/h7H2,1-6H3
InChIKeyPQOWBAJFOWEDBJ-UHFFFAOYSA-N
XLogP2.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine?
The IUPAC name of 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine (CID 59634351) is 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine.
What is the SMILES notation for 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine?
The canonical SMILES for 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine is Cc1nc2c(c(C(C)(C)C)n1)CC(C)(C)O2.
What is the InChIKey of 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine?
The InChIKey is PQOWBAJFOWEDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8-14-10(12(2,3)4)9-7-13(5,6)16-11(9)15-8/h7H2,1-6H3.
What are the key properties of 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine?
4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine has a molecular weight of 220.32 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6,6-trimethyl-5H-furo[2,3-d]pyrimidine is sourced from PubChem (CID 59634351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).