4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine

C14H21FN4O3S — CID 119100507

IUPAC4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine
SMILESCCc1ncnc(OC2CCN(S(=O)(=O)N3CCCC3)C2)c1F
InChIInChI=1S/C14H21FN4O3S/c1-2-12-13(15)14(17-10-16-12)22-11-5-8-19(9-11)23(20,21)18-6-3-4-7-18/h10-11H,2-9H2,1H3
InChIKeyWTLNHDIWTOHQBS-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.97
Rot. Bonds5

About 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine

4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine (PubChem CID 119100507) has the molecular formula C14H21FN4O3S and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine
PubChem CID119100507
Molecular FormulaC14H21FN4O3S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC Name4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine
SMILESCCc1ncnc(OC2CCN(S(=O)(=O)N3CCCC3)C2)c1F
InChIInChI=1S/C14H21FN4O3S/c1-2-12-13(15)14(17-10-16-12)22-11-5-8-19(9-11)23(20,21)18-6-3-4-7-18/h10-11H,2-9H2,1H3
InChIKeyWTLNHDIWTOHQBS-UHFFFAOYSA-N
XLogP0.97
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine?
The IUPAC name of 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine (CID 119100507) is 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine.
What is the SMILES notation for 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine?
The canonical SMILES for 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine is CCc1ncnc(OC2CCN(S(=O)(=O)N3CCCC3)C2)c1F.
What is the InChIKey of 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine?
The InChIKey is WTLNHDIWTOHQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O3S/c1-2-12-13(15)14(17-10-16-12)22-11-5-8-19(9-11)23(20,21)18-6-3-4-7-18/h10-11H,2-9H2,1H3.
What are the key properties of 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine?
4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine has a molecular weight of 344.41 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-fluoro-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrimidine is sourced from PubChem (CID 119100507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).