4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine

C13H19FN2 — CID 123266571

IUPAC4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine
SMILESCc1ncnc(CC(C)CCC2CC2)c1F
InChIInChI=1S/C13H19FN2/c1-9(3-4-11-5-6-11)7-12-13(14)10(2)15-8-16-12/h8-9,11H,3-7H2,1-2H3
InChIKeyGMPRXSRUIYGGOZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.29
Rot. Bonds5

About 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine

4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine (PubChem CID 123266571) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine
PubChem CID123266571
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine
SMILESCc1ncnc(CC(C)CCC2CC2)c1F
InChIInChI=1S/C13H19FN2/c1-9(3-4-11-5-6-11)7-12-13(14)10(2)15-8-16-12/h8-9,11H,3-7H2,1-2H3
InChIKeyGMPRXSRUIYGGOZ-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine (CID 123266571) is 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine is Cc1ncnc(CC(C)CCC2CC2)c1F.
What is the InChIKey of 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine?
The InChIKey is GMPRXSRUIYGGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9(3-4-11-5-6-11)7-12-13(14)10(2)15-8-16-12/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine?
4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine has a molecular weight of 222.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyl-2-methylbutyl)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 123266571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).