6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione

C9H9FN4O2 — CID 122543716

IUPAC6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione
SMILESCC(C)n1cc2nc(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C9H9FN4O2/c1-4(2)14-3-5-7(13-9(14)16)12-8(15)6(10)11-5/h3-4H,1-2H3,(H,12,13,15,16)
InChIKeyNSKMPXARMQSXKJ-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.20
Rot. Bonds1

About 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione

6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione (PubChem CID 122543716) has the molecular formula C9H9FN4O2 and a molecular weight of 224.19 g/mol. Its IUPAC name is 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione.

Molecular Properties

Compound Name6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione
PubChem CID122543716
Molecular FormulaC9H9FN4O2
Molecular Weight224.19 g/mol
Exact Mass224.07
IUPAC Name6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione
SMILESCC(C)n1cc2nc(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C9H9FN4O2/c1-4(2)14-3-5-7(13-9(14)16)12-8(15)6(10)11-5/h3-4H,1-2H3,(H,12,13,15,16)
InChIKeyNSKMPXARMQSXKJ-UHFFFAOYSA-N
XLogP0.20
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione?
The IUPAC name of 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione (CID 122543716) is 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione.
What is the SMILES notation for 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione?
The canonical SMILES for 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione is CC(C)n1cc2nc(F)c(=O)[nH]c2nc1=O.
What is the InChIKey of 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione?
The InChIKey is NSKMPXARMQSXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2/c1-4(2)14-3-5-7(13-9(14)16)12-8(15)6(10)11-5/h3-4H,1-2H3,(H,12,13,15,16).
What are the key properties of 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione?
6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione has a molecular weight of 224.19 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-propan-2-yl-8H-pteridine-2,7-dione is sourced from PubChem (CID 122543716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).