5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine

C9H13FN2O — CID 58252320

IUPAC5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine
SMILESCOc1nc(C(C)C)nc(C)c1F
InChIInChI=1S/C9H13FN2O/c1-5(2)8-11-6(3)7(10)9(12-8)13-4/h5H,1-4H3
InChIKeyLGNHWLAIEMRLFY-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.06
Rot. Bonds2

About 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine

5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine (PubChem CID 58252320) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine
PubChem CID58252320
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine
SMILESCOc1nc(C(C)C)nc(C)c1F
InChIInChI=1S/C9H13FN2O/c1-5(2)8-11-6(3)7(10)9(12-8)13-4/h5H,1-4H3
InChIKeyLGNHWLAIEMRLFY-UHFFFAOYSA-N
XLogP2.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine?
The IUPAC name of 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine (CID 58252320) is 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine is COc1nc(C(C)C)nc(C)c1F.
What is the InChIKey of 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine?
The InChIKey is LGNHWLAIEMRLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-5(2)8-11-6(3)7(10)9(12-8)13-4/h5H,1-4H3.
What are the key properties of 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine?
5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine has a molecular weight of 184.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-6-methyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 58252320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).