2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone

C10H13FN4OS — CID 114236387

IUPAC2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESNc1ncc(F)c(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C10H13FN4OS/c11-7-5-13-10(12)14-9(7)17-6-8(16)15-3-1-2-4-15/h5H,1-4,6H2,(H2,12,13,14)
InChIKeyCPFPYIMVSRXEHC-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.91
Rot. Bonds3

About 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone

2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (PubChem CID 114236387) has the molecular formula C10H13FN4OS and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
PubChem CID114236387
Molecular FormulaC10H13FN4OS
Molecular Weight256.31 g/mol
Exact Mass256.08
IUPAC Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
SMILESNc1ncc(F)c(SCC(=O)N2CCCC2)n1
InChIInChI=1S/C10H13FN4OS/c11-7-5-13-10(12)14-9(7)17-6-8(16)15-3-1-2-4-15/h5H,1-4,6H2,(H2,12,13,14)
InChIKeyCPFPYIMVSRXEHC-UHFFFAOYSA-N
XLogP0.91
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone (CID 114236387) is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone is Nc1ncc(F)c(SCC(=O)N2CCCC2)n1.
What is the InChIKey of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
The InChIKey is CPFPYIMVSRXEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4OS/c11-7-5-13-10(12)14-9(7)17-6-8(16)15-3-1-2-4-15/h5H,1-4,6H2,(H2,12,13,14).
What are the key properties of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone?
2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone has a molecular weight of 256.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114236387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).