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

C11H13ClN2O — CID 63352862

IUPAC4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine
SMILESClc1cc(C2CC2)nc(C2CCOC2)n1
InChIInChI=1S/C11H13ClN2O/c12-10-5-9(7-1-2-7)13-11(14-10)8-3-4-15-6-8/h5,7-8H,1-4,6H2
InChIKeyKZGHSFXEFLMIGQ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.51
Rot. Bonds2

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

4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine (PubChem CID 63352862) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine
PubChem CID63352862
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine
SMILESClc1cc(C2CC2)nc(C2CCOC2)n1
InChIInChI=1S/C11H13ClN2O/c12-10-5-9(7-1-2-7)13-11(14-10)8-3-4-15-6-8/h5,7-8H,1-4,6H2
InChIKeyKZGHSFXEFLMIGQ-UHFFFAOYSA-N
XLogP2.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine (CID 63352862) is 4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine is Clc1cc(C2CC2)nc(C2CCOC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine?
The InChIKey is KZGHSFXEFLMIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-10-5-9(7-1-2-7)13-11(14-10)8-3-4-15-6-8/h5,7-8H,1-4,6H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine?
4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine has a molecular weight of 224.69 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(oxolan-3-yl)pyrimidine is sourced from PubChem (CID 63352862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).