2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine

C11H15FN2O2 — CID 172576532

IUPAC2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1COC2(C)C
InChIInChI=1S/C11H15FN2O2/c1-6(2)16-9-7-5-15-11(3,4)8(7)13-10(12)14-9/h6H,5H2,1-4H3
InChIKeyDXXMCOUAMTWPDJ-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.17
Rot. Bonds2

About 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine

2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine (PubChem CID 172576532) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine
PubChem CID172576532
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine
SMILESCC(C)Oc1nc(F)nc2c1COC2(C)C
InChIInChI=1S/C11H15FN2O2/c1-6(2)16-9-7-5-15-11(3,4)8(7)13-10(12)14-9/h6H,5H2,1-4H3
InChIKeyDXXMCOUAMTWPDJ-UHFFFAOYSA-N
XLogP2.17
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine?
The IUPAC name of 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine (CID 172576532) is 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine.
What is the SMILES notation for 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine?
The canonical SMILES for 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine is CC(C)Oc1nc(F)nc2c1COC2(C)C.
What is the InChIKey of 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine?
The InChIKey is DXXMCOUAMTWPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-6(2)16-9-7-5-15-11(3,4)8(7)13-10(12)14-9/h6H,5H2,1-4H3.
What are the key properties of 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine?
2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine has a molecular weight of 226.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7,7-dimethyl-4-propan-2-yloxy-5H-furo[3,4-d]pyrimidine is sourced from PubChem (CID 172576532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).