4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine

C13H19FN2O — CID 176646223

IUPAC4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(OCCCF)ncnc1C1CC1
InChIInChI=1S/C13H19FN2O/c1-9(2)11-12(10-4-5-10)15-8-16-13(11)17-7-3-6-14/h8-10H,3-7H2,1-2H3
InChIKeyQTIXXYJJXKPCJC-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.22
Rot. Bonds6

About 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine

4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine (PubChem CID 176646223) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine
PubChem CID176646223
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(OCCCF)ncnc1C1CC1
InChIInChI=1S/C13H19FN2O/c1-9(2)11-12(10-4-5-10)15-8-16-13(11)17-7-3-6-14/h8-10H,3-7H2,1-2H3
InChIKeyQTIXXYJJXKPCJC-UHFFFAOYSA-N
XLogP3.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine (CID 176646223) is 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine is CC(C)c1c(OCCCF)ncnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine?
The InChIKey is QTIXXYJJXKPCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(2)11-12(10-4-5-10)15-8-16-13(11)17-7-3-6-14/h8-10H,3-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine?
4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine has a molecular weight of 238.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(3-fluoropropoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 176646223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).