2,5-dimethoxypyrimidine

C6H8N2O2 — CID 587791

IUPAC2,5-dimethoxypyrimidine
SMILESCOc1cnc(OC)nc1
InChIInChI=1S/C6H8N2O2/c1-9-5-3-7-6(10-2)8-4-5/h3-4H,1-2H3
InChIKeyJCDHBXYIWAUNSH-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.49
Rot. Bonds2

About 2,5-dimethoxypyrimidine

2,5-dimethoxypyrimidine (PubChem CID 587791) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2,5-dimethoxypyrimidine.

Molecular Properties

Compound Name2,5-dimethoxypyrimidine
PubChem CID587791
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2,5-dimethoxypyrimidine
SMILESCOc1cnc(OC)nc1
InChIInChI=1S/C6H8N2O2/c1-9-5-3-7-6(10-2)8-4-5/h3-4H,1-2H3
InChIKeyJCDHBXYIWAUNSH-UHFFFAOYSA-N
XLogP0.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxypyrimidine?
The IUPAC name of 2,5-dimethoxypyrimidine (CID 587791) is 2,5-dimethoxypyrimidine.
What is the SMILES notation for 2,5-dimethoxypyrimidine?
The canonical SMILES for 2,5-dimethoxypyrimidine is COc1cnc(OC)nc1.
What is the InChIKey of 2,5-dimethoxypyrimidine?
The InChIKey is JCDHBXYIWAUNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-9-5-3-7-6(10-2)8-4-5/h3-4H,1-2H3.
What are the key properties of 2,5-dimethoxypyrimidine?
2,5-dimethoxypyrimidine has a molecular weight of 140.14 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxypyrimidine is sourced from PubChem (CID 587791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).