2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine

C12H15ClN2O3 — CID 77231038

IUPAC2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine
SMILESClc1ncc(OC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C12H15ClN2O3/c13-11-14-7-10(8-15-11)18-9-1-3-12(4-2-9)16-5-6-17-12/h7-9H,1-6H2
InChIKeyRFNGBGUOBLIMDI-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.19
Rot. Bonds2

About 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine

2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine (PubChem CID 77231038) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine
PubChem CID77231038
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine
SMILESClc1ncc(OC2CCC3(CC2)OCCO3)cn1
InChIInChI=1S/C12H15ClN2O3/c13-11-14-7-10(8-15-11)18-9-1-3-12(4-2-9)16-5-6-17-12/h7-9H,1-6H2
InChIKeyRFNGBGUOBLIMDI-UHFFFAOYSA-N
XLogP2.19
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)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 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine?
The IUPAC name of 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine (CID 77231038) is 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine?
The canonical SMILES for 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine is Clc1ncc(OC2CCC3(CC2)OCCO3)cn1.
What is the InChIKey of 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine?
The InChIKey is RFNGBGUOBLIMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c13-11-14-7-10(8-15-11)18-9-1-3-12(4-2-9)16-5-6-17-12/h7-9H,1-6H2.
What are the key properties of 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine?
2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine has a molecular weight of 270.72 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-yloxy)pyrimidine is sourced from PubChem (CID 77231038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).