2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine

C13H15FN6 — CID 138008470

IUPAC2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCC(n3cc(C4CC4)nn3)C2)nc1
InChIInChI=1S/C13H15FN6/c14-10-5-15-13(16-6-10)19-4-3-11(7-19)20-8-12(17-18-20)9-1-2-9/h5-6,8-9,11H,1-4,7H2
InChIKeyMHHCHDQAAZQTFI-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.54
Rot. Bonds3

About 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine

2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine (PubChem CID 138008470) has the molecular formula C13H15FN6 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine.

Molecular Properties

Compound Name2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine
PubChem CID138008470
Molecular FormulaC13H15FN6
Molecular Weight274.30 g/mol
Exact Mass274.13
IUPAC Name2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine
SMILESFc1cnc(N2CCC(n3cc(C4CC4)nn3)C2)nc1
InChIInChI=1S/C13H15FN6/c14-10-5-15-13(16-6-10)19-4-3-11(7-19)20-8-12(17-18-20)9-1-2-9/h5-6,8-9,11H,1-4,7H2
InChIKeyMHHCHDQAAZQTFI-UHFFFAOYSA-N
XLogP1.54
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine?
The IUPAC name of 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine (CID 138008470) is 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine.
What is the SMILES notation for 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine?
The canonical SMILES for 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine is Fc1cnc(N2CCC(n3cc(C4CC4)nn3)C2)nc1.
What is the InChIKey of 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine?
The InChIKey is MHHCHDQAAZQTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6/c14-10-5-15-13(16-6-10)19-4-3-11(7-19)20-8-12(17-18-20)9-1-2-9/h5-6,8-9,11H,1-4,7H2.
What are the key properties of 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine?
2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine has a molecular weight of 274.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidine is sourced from PubChem (CID 138008470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).