2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane

C9H15ClN2O — CID 155571429

IUPAC2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane
SMILESCC.COc1nc(Cl)nc(C)c1C
InChIInChI=1S/C7H9ClN2O.C2H6/c1-4-5(2)9-7(8)10-6(4)11-3;1-2/h1-3H3;1-2H3
InChIKeyPIJLYQHAEUAJEX-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.78
Rot. Bonds1

About 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane

2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane (PubChem CID 155571429) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane.

Molecular Properties

Compound Name2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane
PubChem CID155571429
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane
SMILESCC.COc1nc(Cl)nc(C)c1C
InChIInChI=1S/C7H9ClN2O.C2H6/c1-4-5(2)9-7(8)10-6(4)11-3;1-2/h1-3H3;1-2H3
InChIKeyPIJLYQHAEUAJEX-UHFFFAOYSA-N
XLogP2.78
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane?
The IUPAC name of 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane (CID 155571429) is 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane.
What is the SMILES notation for 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane?
The canonical SMILES for 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane is CC.COc1nc(Cl)nc(C)c1C.
What is the InChIKey of 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane?
The InChIKey is PIJLYQHAEUAJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O.C2H6/c1-4-5(2)9-7(8)10-6(4)11-3;1-2/h1-3H3;1-2H3.
What are the key properties of 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane?
2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane has a molecular weight of 202.68 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5,6-dimethylpyrimidine;ethane is sourced from PubChem (CID 155571429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).