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

C7H9ClN2O2 — CID 45058582

IUPAC5-chloro-2,4-dimethoxy-6-methylpyrimidine
SMILESCOc1nc(C)c(Cl)c(OC)n1
InChIInChI=1S/C7H9ClN2O2/c1-4-5(8)6(11-2)10-7(9-4)12-3/h1-3H3
InChIKeyBVDYUCCIJBGAEF-UHFFFAOYSA-N
MW188.61 g/mol
LogP1.46
Rot. Bonds2

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

5-chloro-2,4-dimethoxy-6-methylpyrimidine (PubChem CID 45058582) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 5-chloro-2,4-dimethoxy-6-methylpyrimidine.

Molecular Properties

Compound Name5-chloro-2,4-dimethoxy-6-methylpyrimidine
PubChem CID45058582
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name5-chloro-2,4-dimethoxy-6-methylpyrimidine
SMILESCOc1nc(C)c(Cl)c(OC)n1
InChIInChI=1S/C7H9ClN2O2/c1-4-5(8)6(11-2)10-7(9-4)12-3/h1-3H3
InChIKeyBVDYUCCIJBGAEF-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 5-chloro-2,4-dimethoxy-6-methylpyrimidine?
The IUPAC name of 5-chloro-2,4-dimethoxy-6-methylpyrimidine (CID 45058582) is 5-chloro-2,4-dimethoxy-6-methylpyrimidine.
What is the SMILES notation for 5-chloro-2,4-dimethoxy-6-methylpyrimidine?
The canonical SMILES for 5-chloro-2,4-dimethoxy-6-methylpyrimidine is COc1nc(C)c(Cl)c(OC)n1.
What is the InChIKey of 5-chloro-2,4-dimethoxy-6-methylpyrimidine?
The InChIKey is BVDYUCCIJBGAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4-5(8)6(11-2)10-7(9-4)12-3/h1-3H3.
What are the key properties of 5-chloro-2,4-dimethoxy-6-methylpyrimidine?
5-chloro-2,4-dimethoxy-6-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 5-chloro-2,4-dimethoxy-6-methylpyrimidine is sourced from PubChem (CID 45058582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).