2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide

C10H15FN4OS — CID 114235242

IUPAC2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(N)ncc1F
InChIInChI=1S/C10H15FN4OS/c1-3-15(4-2)8(16)6-17-9-7(11)5-13-10(12)14-9/h5H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyQURBKOJLQQILAY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.16
Rot. Bonds5

About 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide

2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide (PubChem CID 114235242) has the molecular formula C10H15FN4OS and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
PubChem CID114235242
Molecular FormulaC10H15FN4OS
Molecular Weight258.32 g/mol
Exact Mass258.10
IUPAC Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nc(N)ncc1F
InChIInChI=1S/C10H15FN4OS/c1-3-15(4-2)8(16)6-17-9-7(11)5-13-10(12)14-9/h5H,3-4,6H2,1-2H3,(H2,12,13,14)
InChIKeyQURBKOJLQQILAY-UHFFFAOYSA-N
XLogP1.16
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.16
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-N,N-diethylacetamide?
The IUPAC name of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide (CID 114235242) is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nc(N)ncc1F.
What is the InChIKey of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
The InChIKey is QURBKOJLQQILAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4OS/c1-3-15(4-2)8(16)6-17-9-7(11)5-13-10(12)14-9/h5H,3-4,6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide?
2-(2-amino-5-fluoropyrimidin-4-yl)sulfanyl-N,N-diethylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.16, 5 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-N,N-diethylacetamide is sourced from PubChem (CID 114235242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).