5-chloro-2-propoxypyrimidine

C7H9ClN2O — CID 129253190

IUPAC5-chloro-2-propoxypyrimidine
SMILESCCCOc1ncc(Cl)cn1
InChIInChI=1S/C7H9ClN2O/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3
InChIKeyQNTJTQSMDWEPKG-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-2-propoxypyrimidine

5-chloro-2-propoxypyrimidine (PubChem CID 129253190) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 5-chloro-2-propoxypyrimidine.

Molecular Properties

Compound Name5-chloro-2-propoxypyrimidine
PubChem CID129253190
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name5-chloro-2-propoxypyrimidine
SMILESCCCOc1ncc(Cl)cn1
InChIInChI=1S/C7H9ClN2O/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3
InChIKeyQNTJTQSMDWEPKG-UHFFFAOYSA-N
XLogP1.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propoxypyrimidine?
The IUPAC name of 5-chloro-2-propoxypyrimidine (CID 129253190) is 5-chloro-2-propoxypyrimidine.
What is the SMILES notation for 5-chloro-2-propoxypyrimidine?
The canonical SMILES for 5-chloro-2-propoxypyrimidine is CCCOc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-propoxypyrimidine?
The InChIKey is QNTJTQSMDWEPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-2-3-11-7-9-4-6(8)5-10-7/h4-5H,2-3H2,1H3.
What are the key properties of 5-chloro-2-propoxypyrimidine?
5-chloro-2-propoxypyrimidine has a molecular weight of 172.62 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propoxypyrimidine is sourced from PubChem (CID 129253190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).