5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine

C8H9FN2O — CID 177024349

IUPAC5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)OCC2F
InChIInChI=1S/C8H9FN2O/c1-4-7-6(9)3-12-8(7)11-5(2)10-4/h6H,3H2,1-2H3
InChIKeyMCAYGRCAWGPFAI-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.50
Rot. Bonds

About 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine

5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine (PubChem CID 177024349) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
PubChem CID177024349
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)OCC2F
InChIInChI=1S/C8H9FN2O/c1-4-7-6(9)3-12-8(7)11-5(2)10-4/h6H,3H2,1-2H3
InChIKeyMCAYGRCAWGPFAI-UHFFFAOYSA-N
XLogP1.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The IUPAC name of 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine (CID 177024349) is 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine.
What is the SMILES notation for 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The canonical SMILES for 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine is Cc1nc(C)c2c(n1)OCC2F.
What is the InChIKey of 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
The InChIKey is MCAYGRCAWGPFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-4-7-6(9)3-12-8(7)11-5(2)10-4/h6H,3H2,1-2H3.
What are the key properties of 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine?
5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine has a molecular weight of 168.17 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine is sourced from PubChem (CID 177024349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).