2-(furan-3-yl)-4-propan-2-ylpyrimidine

C11H12N2O — CID 177268706

IUPAC2-(furan-3-yl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(-c2ccoc2)n1
InChIInChI=1S/C11H12N2O/c1-8(2)10-3-5-12-11(13-10)9-4-6-14-7-9/h3-8H,1-2H3
InChIKeyDSQBZXANXUMVIY-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.86
Rot. Bonds2

About 2-(furan-3-yl)-4-propan-2-ylpyrimidine

2-(furan-3-yl)-4-propan-2-ylpyrimidine (PubChem CID 177268706) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(furan-3-yl)-4-propan-2-ylpyrimidine
PubChem CID177268706
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(furan-3-yl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(-c2ccoc2)n1
InChIInChI=1S/C11H12N2O/c1-8(2)10-3-5-12-11(13-10)9-4-6-14-7-9/h3-8H,1-2H3
InChIKeyDSQBZXANXUMVIY-UHFFFAOYSA-N
XLogP2.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(furan-3-yl)-4-propan-2-ylpyrimidine 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 2-(furan-3-yl)-4-propan-2-ylpyrimidine?
The IUPAC name of 2-(furan-3-yl)-4-propan-2-ylpyrimidine (CID 177268706) is 2-(furan-3-yl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(furan-3-yl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-(furan-3-yl)-4-propan-2-ylpyrimidine is CC(C)c1ccnc(-c2ccoc2)n1.
What is the InChIKey of 2-(furan-3-yl)-4-propan-2-ylpyrimidine?
The InChIKey is DSQBZXANXUMVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(2)10-3-5-12-11(13-10)9-4-6-14-7-9/h3-8H,1-2H3.
What are the key properties of 2-(furan-3-yl)-4-propan-2-ylpyrimidine?
2-(furan-3-yl)-4-propan-2-ylpyrimidine has a molecular weight of 188.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 177268706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).