5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine

C9H13FN2O2 — CID 58252308

IUPAC5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine
SMILESCOc1nc(C(C)C)nc(OC)c1F
InChIInChI=1S/C9H13FN2O2/c1-5(2)7-11-8(13-3)6(10)9(12-7)14-4/h5H,1-4H3
InChIKeyLIHWQYBSIDEIQG-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.76
Rot. Bonds3

About 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine

5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine (PubChem CID 58252308) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine
PubChem CID58252308
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine
SMILESCOc1nc(C(C)C)nc(OC)c1F
InChIInChI=1S/C9H13FN2O2/c1-5(2)7-11-8(13-3)6(10)9(12-7)14-4/h5H,1-4H3
InChIKeyLIHWQYBSIDEIQG-UHFFFAOYSA-N
XLogP1.76
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine?
The IUPAC name of 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine (CID 58252308) is 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine is COc1nc(C(C)C)nc(OC)c1F.
What is the InChIKey of 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine?
The InChIKey is LIHWQYBSIDEIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-5(2)7-11-8(13-3)6(10)9(12-7)14-4/h5H,1-4H3.
What are the key properties of 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine?
5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine has a molecular weight of 200.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,6-dimethoxy-2-propan-2-ylpyrimidine is sourced from PubChem (CID 58252308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).