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

C7H9FN2O2 — CID 126478348

IUPAC4-fluoro-2,6-dimethoxy-5-methylpyrimidine
SMILESCOc1nc(F)c(C)c(OC)n1
InChIInChI=1S/C7H9FN2O2/c1-4-5(8)9-7(12-3)10-6(4)11-2/h1-3H3
InChIKeyBNBHGVIEJRPIRI-UHFFFAOYSA-N
MW172.16 g/mol
LogP0.94
Rot. Bonds2

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

4-fluoro-2,6-dimethoxy-5-methylpyrimidine (PubChem CID 126478348) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-fluoro-2,6-dimethoxy-5-methylpyrimidine
PubChem CID126478348
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name4-fluoro-2,6-dimethoxy-5-methylpyrimidine
SMILESCOc1nc(F)c(C)c(OC)n1
InChIInChI=1S/C7H9FN2O2/c1-4-5(8)9-7(12-3)10-6(4)11-2/h1-3H3
InChIKeyBNBHGVIEJRPIRI-UHFFFAOYSA-N
XLogP0.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 759140
CID 759140
CID 594067
CID 594067
CID 63735691
CID 63735691
CID 13379302
CID 13379302
CID 102101568
CID 102101568
CID 118484820
CID 118484820
CID 2817978
CID 2817978
CID 134912746
CID 134912746
CID 12272869
CID 12272869
CID 13420870
CID 13420870
CID 13455996
CID 13455996
CID 13379306
CID 13379306

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-dimethoxy-5-methylpyrimidine?
The IUPAC name of 4-fluoro-2,6-dimethoxy-5-methylpyrimidine (CID 126478348) is 4-fluoro-2,6-dimethoxy-5-methylpyrimidine.
What is the SMILES notation for 4-fluoro-2,6-dimethoxy-5-methylpyrimidine?
The canonical SMILES for 4-fluoro-2,6-dimethoxy-5-methylpyrimidine is COc1nc(F)c(C)c(OC)n1.
What is the InChIKey of 4-fluoro-2,6-dimethoxy-5-methylpyrimidine?
The InChIKey is BNBHGVIEJRPIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c1-4-5(8)9-7(12-3)10-6(4)11-2/h1-3H3.
What are the key properties of 4-fluoro-2,6-dimethoxy-5-methylpyrimidine?
4-fluoro-2,6-dimethoxy-5-methylpyrimidine has a molecular weight of 172.16 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethoxy-5-methylpyrimidine is sourced from PubChem (CID 126478348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).