2-chloro-5-propan-2-yloxypyrimidine

C7H9ClN2O — CID 58057924

IUPAC2-chloro-5-propan-2-yloxypyrimidine
SMILESCC(C)Oc1cnc(Cl)nc1
InChIInChI=1S/C7H9ClN2O/c1-5(2)11-6-3-9-7(8)10-4-6/h3-5H,1-2H3
InChIKeyZINCSSQSZVBPDS-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.92
Rot. Bonds2

About 2-chloro-5-propan-2-yloxypyrimidine

2-chloro-5-propan-2-yloxypyrimidine (PubChem CID 58057924) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-chloro-5-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name2-chloro-5-propan-2-yloxypyrimidine
PubChem CID58057924
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name2-chloro-5-propan-2-yloxypyrimidine
SMILESCC(C)Oc1cnc(Cl)nc1
InChIInChI=1S/C7H9ClN2O/c1-5(2)11-6-3-9-7(8)10-4-6/h3-5H,1-2H3
InChIKeyZINCSSQSZVBPDS-UHFFFAOYSA-N
XLogP1.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-5-propan-2-yloxypyrimidine 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-propan-2-yloxypyrimidine?
The IUPAC name of 2-chloro-5-propan-2-yloxypyrimidine (CID 58057924) is 2-chloro-5-propan-2-yloxypyrimidine.
What is the SMILES notation for 2-chloro-5-propan-2-yloxypyrimidine?
The canonical SMILES for 2-chloro-5-propan-2-yloxypyrimidine is CC(C)Oc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-propan-2-yloxypyrimidine?
The InChIKey is ZINCSSQSZVBPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-5(2)11-6-3-9-7(8)10-4-6/h3-5H,1-2H3.
What are the key properties of 2-chloro-5-propan-2-yloxypyrimidine?
2-chloro-5-propan-2-yloxypyrimidine has a molecular weight of 172.62 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-yloxypyrimidine is sourced from PubChem (CID 58057924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).