4-chloro-2,6-dimethoxy-5-methylpyrimidine

C7H9ClN2O2 — CID 13455996

IUPAC4-chloro-2,6-dimethoxy-5-methylpyrimidine
SMILESCOc1nc(Cl)c(C)c(OC)n1
InChIInChI=1S/C7H9ClN2O2/c1-4-5(8)9-7(12-3)10-6(4)11-2/h1-3H3
InChIKeyFHDGSYIDVKPQAY-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.46
Rot. Bonds2

About 4-chloro-2,6-dimethoxy-5-methylpyrimidine

4-chloro-2,6-dimethoxy-5-methylpyrimidine (PubChem CID 13455996) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-chloro-2,6-dimethoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2,6-dimethoxy-5-methylpyrimidine
PubChem CID13455996
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-chloro-2,6-dimethoxy-5-methylpyrimidine
SMILESCOc1nc(Cl)c(C)c(OC)n1
InChIInChI=1S/C7H9ClN2O2/c1-4-5(8)9-7(12-3)10-6(4)11-2/h1-3H3
InChIKeyFHDGSYIDVKPQAY-UHFFFAOYSA-N
XLogP1.46
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,6-dimethoxy-5-methylpyrimidine?
The IUPAC name of 4-chloro-2,6-dimethoxy-5-methylpyrimidine (CID 13455996) is 4-chloro-2,6-dimethoxy-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-2,6-dimethoxy-5-methylpyrimidine?
The canonical SMILES for 4-chloro-2,6-dimethoxy-5-methylpyrimidine is COc1nc(Cl)c(C)c(OC)n1.
What is the InChIKey of 4-chloro-2,6-dimethoxy-5-methylpyrimidine?
The InChIKey is FHDGSYIDVKPQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4-5(8)9-7(12-3)10-6(4)11-2/h1-3H3.
What are the key properties of 4-chloro-2,6-dimethoxy-5-methylpyrimidine?
4-chloro-2,6-dimethoxy-5-methylpyrimidine has a molecular weight of 188.61 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,6-dimethoxy-5-methylpyrimidine is sourced from PubChem (CID 13455996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).