4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine

C9H11FN2O — CID 176758482

IUPAC4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine
SMILESCOc1nc(F)nc(C2CC2)c1C
InChIInChI=1S/C9H11FN2O/c1-5-7(6-3-4-6)11-9(10)12-8(5)13-2/h6H,3-4H2,1-2H3
InChIKeyNNWHPHPNSRXEPB-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.81
Rot. Bonds2

About 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine

4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine (PubChem CID 176758482) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine
PubChem CID176758482
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine
SMILESCOc1nc(F)nc(C2CC2)c1C
InChIInChI=1S/C9H11FN2O/c1-5-7(6-3-4-6)11-9(10)12-8(5)13-2/h6H,3-4H2,1-2H3
InChIKeyNNWHPHPNSRXEPB-UHFFFAOYSA-N
XLogP1.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine?
The IUPAC name of 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine (CID 176758482) is 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine?
The canonical SMILES for 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine is COc1nc(F)nc(C2CC2)c1C.
What is the InChIKey of 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine?
The InChIKey is NNWHPHPNSRXEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-5-7(6-3-4-6)11-9(10)12-8(5)13-2/h6H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine?
4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine has a molecular weight of 182.20 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine is sourced from PubChem (CID 176758482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).