4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine

C10H15FN2O — CID 165072288

IUPAC4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine
SMILESCC(F)COc1cc(C(C)C)ncn1
InChIInChI=1S/C10H15FN2O/c1-7(2)9-4-10(13-6-12-9)14-5-8(3)11/h4,6-8H,5H2,1-3H3
InChIKeyWYYWYWODMHTUOR-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.34
Rot. Bonds4

About 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine

4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine (PubChem CID 165072288) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine
PubChem CID165072288
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine
SMILESCC(F)COc1cc(C(C)C)ncn1
InChIInChI=1S/C10H15FN2O/c1-7(2)9-4-10(13-6-12-9)14-5-8(3)11/h4,6-8H,5H2,1-3H3
InChIKeyWYYWYWODMHTUOR-UHFFFAOYSA-N
XLogP2.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine (CID 165072288) is 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine is CC(F)COc1cc(C(C)C)ncn1.
What is the InChIKey of 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine?
The InChIKey is WYYWYWODMHTUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-7(2)9-4-10(13-6-12-9)14-5-8(3)11/h4,6-8H,5H2,1-3H3.
What are the key properties of 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine?
4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine has a molecular weight of 198.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropoxy)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 165072288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).