4-chloro-5-ethyl-2,6-dimethoxypyrimidine

C8H11ClN2O2 — CID 14135533

IUPAC4-chloro-5-ethyl-2,6-dimethoxypyrimidine
SMILESCCc1c(Cl)nc(OC)nc1OC
InChIInChI=1S/C8H11ClN2O2/c1-4-5-6(9)10-8(13-3)11-7(5)12-2/h4H2,1-3H3
InChIKeyVONNDZOXUOHVCI-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.71
Rot. Bonds3

About 4-chloro-5-ethyl-2,6-dimethoxypyrimidine

4-chloro-5-ethyl-2,6-dimethoxypyrimidine (PubChem CID 14135533) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-5-ethyl-2,6-dimethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-2,6-dimethoxypyrimidine
PubChem CID14135533
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name4-chloro-5-ethyl-2,6-dimethoxypyrimidine
SMILESCCc1c(Cl)nc(OC)nc1OC
InChIInChI=1S/C8H11ClN2O2/c1-4-5-6(9)10-8(13-3)11-7(5)12-2/h4H2,1-3H3
InChIKeyVONNDZOXUOHVCI-UHFFFAOYSA-N
XLogP1.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-2,6-dimethoxypyrimidine?
The IUPAC name of 4-chloro-5-ethyl-2,6-dimethoxypyrimidine (CID 14135533) is 4-chloro-5-ethyl-2,6-dimethoxypyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-2,6-dimethoxypyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-2,6-dimethoxypyrimidine is CCc1c(Cl)nc(OC)nc1OC.
What is the InChIKey of 4-chloro-5-ethyl-2,6-dimethoxypyrimidine?
The InChIKey is VONNDZOXUOHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-4-5-6(9)10-8(13-3)11-7(5)12-2/h4H2,1-3H3.
What are the key properties of 4-chloro-5-ethyl-2,6-dimethoxypyrimidine?
4-chloro-5-ethyl-2,6-dimethoxypyrimidine has a molecular weight of 202.64 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-2,6-dimethoxypyrimidine is sourced from PubChem (CID 14135533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).