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

C9H11FN2O — CID 176758446

IUPAC5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)OCC2(C)F
InChIInChI=1S/C9H11FN2O/c1-5-7-8(12-6(2)11-5)13-4-9(7,3)10/h4H2,1-3H3
InChIKeyGPQQAFCWMQMCPV-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.67
Rot. Bonds

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

5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine (PubChem CID 176758446) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine
PubChem CID176758446
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine
SMILESCc1nc(C)c2c(n1)OCC2(C)F
InChIInChI=1S/C9H11FN2O/c1-5-7-8(12-6(2)11-5)13-4-9(7,3)10/h4H2,1-3H3
InChIKeyGPQQAFCWMQMCPV-UHFFFAOYSA-N
XLogP1.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2,4,5-trimethyl-6H-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 5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine?
The IUPAC name of 5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine (CID 176758446) is 5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine.
What is the SMILES notation for 5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine?
The canonical SMILES for 5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine is Cc1nc(C)c2c(n1)OCC2(C)F.
What is the InChIKey of 5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine?
The InChIKey is GPQQAFCWMQMCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-5-7-8(12-6(2)11-5)13-4-9(7,3)10/h4H2,1-3H3.
What are the key properties of 5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine?
5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine has a molecular weight of 182.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine is sourced from PubChem (CID 176758446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).