5-chloro-4-ethyl-6-propoxypyrimidine

C9H13ClN2O — CID 67637871

IUPAC5-chloro-4-ethyl-6-propoxypyrimidine
SMILESCCCOc1ncnc(CC)c1Cl
InChIInChI=1S/C9H13ClN2O/c1-3-5-13-9-8(10)7(4-2)11-6-12-9/h6H,3-5H2,1-2H3
InChIKeyGDLBMVDPTZAPLR-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.48
Rot. Bonds4

About 5-chloro-4-ethyl-6-propoxypyrimidine

5-chloro-4-ethyl-6-propoxypyrimidine (PubChem CID 67637871) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-chloro-4-ethyl-6-propoxypyrimidine.

Molecular Properties

Compound Name5-chloro-4-ethyl-6-propoxypyrimidine
PubChem CID67637871
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name5-chloro-4-ethyl-6-propoxypyrimidine
SMILESCCCOc1ncnc(CC)c1Cl
InChIInChI=1S/C9H13ClN2O/c1-3-5-13-9-8(10)7(4-2)11-6-12-9/h6H,3-5H2,1-2H3
InChIKeyGDLBMVDPTZAPLR-UHFFFAOYSA-N
XLogP2.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethyl-6-propoxypyrimidine?
The IUPAC name of 5-chloro-4-ethyl-6-propoxypyrimidine (CID 67637871) is 5-chloro-4-ethyl-6-propoxypyrimidine.
What is the SMILES notation for 5-chloro-4-ethyl-6-propoxypyrimidine?
The canonical SMILES for 5-chloro-4-ethyl-6-propoxypyrimidine is CCCOc1ncnc(CC)c1Cl.
What is the InChIKey of 5-chloro-4-ethyl-6-propoxypyrimidine?
The InChIKey is GDLBMVDPTZAPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-3-5-13-9-8(10)7(4-2)11-6-12-9/h6H,3-5H2,1-2H3.
What are the key properties of 5-chloro-4-ethyl-6-propoxypyrimidine?
5-chloro-4-ethyl-6-propoxypyrimidine has a molecular weight of 200.67 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethyl-6-propoxypyrimidine is sourced from PubChem (CID 67637871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).