5-(furan-3-yl)-2-methylpyrimidine

C9H8N2O — CID 118485316

IUPAC5-(furan-3-yl)-2-methylpyrimidine
SMILESCc1ncc(-c2ccoc2)cn1
InChIInChI=1S/C9H8N2O/c1-7-10-4-9(5-11-7)8-2-3-12-6-8/h2-6H,1H3
InChIKeyQRIWEBXDHWGONB-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.05
Rot. Bonds1

About 5-(furan-3-yl)-2-methylpyrimidine

5-(furan-3-yl)-2-methylpyrimidine (PubChem CID 118485316) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-(furan-3-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-(furan-3-yl)-2-methylpyrimidine
PubChem CID118485316
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name5-(furan-3-yl)-2-methylpyrimidine
SMILESCc1ncc(-c2ccoc2)cn1
InChIInChI=1S/C9H8N2O/c1-7-10-4-9(5-11-7)8-2-3-12-6-8/h2-6H,1H3
InChIKeyQRIWEBXDHWGONB-UHFFFAOYSA-N
XLogP2.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(furan-3-yl)-2-methylpyrimidine 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-(furan-3-yl)-2-methylpyrimidine?
The IUPAC name of 5-(furan-3-yl)-2-methylpyrimidine (CID 118485316) is 5-(furan-3-yl)-2-methylpyrimidine.
What is the SMILES notation for 5-(furan-3-yl)-2-methylpyrimidine?
The canonical SMILES for 5-(furan-3-yl)-2-methylpyrimidine is Cc1ncc(-c2ccoc2)cn1.
What is the InChIKey of 5-(furan-3-yl)-2-methylpyrimidine?
The InChIKey is QRIWEBXDHWGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-10-4-9(5-11-7)8-2-3-12-6-8/h2-6H,1H3.
What are the key properties of 5-(furan-3-yl)-2-methylpyrimidine?
5-(furan-3-yl)-2-methylpyrimidine has a molecular weight of 160.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-2-methylpyrimidine is sourced from PubChem (CID 118485316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).