4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine

C13H18FN3O3S — CID 119100499

IUPAC4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(OC2CCN(S(=O)(=O)C3CC3)C2)c1F
InChIInChI=1S/C13H18FN3O3S/c1-2-11-12(14)13(16-8-15-11)20-9-5-6-17(7-9)21(18,19)10-3-4-10/h8-10H,2-7H2,1H3
InChIKeyUBAWLSWNSXCKRJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.12
Rot. Bonds5

About 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine

4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine (PubChem CID 119100499) has the molecular formula C13H18FN3O3S and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine
PubChem CID119100499
Molecular FormulaC13H18FN3O3S
Molecular Weight315.37 g/mol
Exact Mass315.11
IUPAC Name4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine
SMILESCCc1ncnc(OC2CCN(S(=O)(=O)C3CC3)C2)c1F
InChIInChI=1S/C13H18FN3O3S/c1-2-11-12(14)13(16-8-15-11)20-9-5-6-17(7-9)21(18,19)10-3-4-10/h8-10H,2-7H2,1H3
InChIKeyUBAWLSWNSXCKRJ-UHFFFAOYSA-N
XLogP1.12
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine?
The IUPAC name of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine (CID 119100499) is 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine.
What is the SMILES notation for 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine?
The canonical SMILES for 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine is CCc1ncnc(OC2CCN(S(=O)(=O)C3CC3)C2)c1F.
What is the InChIKey of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine?
The InChIKey is UBAWLSWNSXCKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O3S/c1-2-11-12(14)13(16-8-15-11)20-9-5-6-17(7-9)21(18,19)10-3-4-10/h8-10H,2-7H2,1H3.
What are the key properties of 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine?
4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine has a molecular weight of 315.37 g/mol, XLogP of 1.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-ethyl-5-fluoropyrimidine is sourced from PubChem (CID 119100499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).