4-methoxy-2-propoxypyrimidine

C8H12N2O2 — CID 173471220

IUPAC4-methoxy-2-propoxypyrimidine
SMILESCCCOc1nccc(OC)n1
InChIInChI=1S/C8H12N2O2/c1-3-6-12-8-9-5-4-7(10-8)11-2/h4-5H,3,6H2,1-2H3
InChIKeyDYOSHWYUKDWFAW-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.27
Rot. Bonds4

About 4-methoxy-2-propoxypyrimidine

4-methoxy-2-propoxypyrimidine (PubChem CID 173471220) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-methoxy-2-propoxypyrimidine.

Molecular Properties

Compound Name4-methoxy-2-propoxypyrimidine
PubChem CID173471220
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-methoxy-2-propoxypyrimidine
SMILESCCCOc1nccc(OC)n1
InChIInChI=1S/C8H12N2O2/c1-3-6-12-8-9-5-4-7(10-8)11-2/h4-5H,3,6H2,1-2H3
InChIKeyDYOSHWYUKDWFAW-UHFFFAOYSA-N
XLogP1.27
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propoxypyrimidine?
The IUPAC name of 4-methoxy-2-propoxypyrimidine (CID 173471220) is 4-methoxy-2-propoxypyrimidine.
What is the SMILES notation for 4-methoxy-2-propoxypyrimidine?
The canonical SMILES for 4-methoxy-2-propoxypyrimidine is CCCOc1nccc(OC)n1.
What is the InChIKey of 4-methoxy-2-propoxypyrimidine?
The InChIKey is DYOSHWYUKDWFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-12-8-9-5-4-7(10-8)11-2/h4-5H,3,6H2,1-2H3.
What are the key properties of 4-methoxy-2-propoxypyrimidine?
4-methoxy-2-propoxypyrimidine has a molecular weight of 168.20 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propoxypyrimidine is sourced from PubChem (CID 173471220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).