4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine

C11H9ClN2O — CID 80952668

IUPAC4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine
SMILESClc1cc(-c2ccoc2)nc(C2CC2)n1
InChIInChI=1S/C11H9ClN2O/c12-10-5-9(8-3-4-15-6-8)13-11(14-10)7-1-2-7/h3-7H,1-2H2
InChIKeyWUDHICHPGGFOIW-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.27
Rot. Bonds2

About 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine

4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine (PubChem CID 80952668) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine
PubChem CID80952668
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine
SMILESClc1cc(-c2ccoc2)nc(C2CC2)n1
InChIInChI=1S/C11H9ClN2O/c12-10-5-9(8-3-4-15-6-8)13-11(14-10)7-1-2-7/h3-7H,1-2H2
InChIKeyWUDHICHPGGFOIW-UHFFFAOYSA-N
XLogP3.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine (CID 80952668) is 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine is Clc1cc(-c2ccoc2)nc(C2CC2)n1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine?
The InChIKey is WUDHICHPGGFOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-5-9(8-3-4-15-6-8)13-11(14-10)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine?
4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine has a molecular weight of 220.66 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine is sourced from PubChem (CID 80952668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).