4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane

C9H15ClN2O — CID 142556776

IUPAC4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane
SMILESCC.COCc1nc(C)cc(Cl)n1
InChIInChI=1S/C7H9ClN2O.C2H6/c1-5-3-6(8)10-7(9-5)4-11-2;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyOWORHBMHSSGPHU-UHFFFAOYSA-N
MW202.69 g/mol
LogP2.61
Rot. Bonds2

About 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane

4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane (PubChem CID 142556776) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane
PubChem CID142556776
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC Name4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane
SMILESCC.COCc1nc(C)cc(Cl)n1
InChIInChI=1S/C7H9ClN2O.C2H6/c1-5-3-6(8)10-7(9-5)4-11-2;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyOWORHBMHSSGPHU-UHFFFAOYSA-N
XLogP2.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane?
The IUPAC name of 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane (CID 142556776) is 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane is CC.COCc1nc(C)cc(Cl)n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane?
The InChIKey is OWORHBMHSSGPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O.C2H6/c1-5-3-6(8)10-7(9-5)4-11-2;1-2/h3H,4H2,1-2H3;1-2H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane?
4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane has a molecular weight of 202.69 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-6-methylpyrimidine;ethane is sourced from PubChem (CID 142556776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).