6-fluoro-3-methyl-8H-pteridine-2,7-dione

C7H5FN4O2 — CID 118005417

IUPAC6-fluoro-3-methyl-8H-pteridine-2,7-dione
SMILESCn1cc2nc(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C7H5FN4O2/c1-12-2-3-5(11-7(12)14)10-6(13)4(8)9-3/h2H,1H3,(H,10,11,13,14)
InChIKeyMHPSUULISBWXMI-UHFFFAOYSA-N
MW196.14 g/mol
LogP-0.84
Rot. Bonds

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

6-fluoro-3-methyl-8H-pteridine-2,7-dione (PubChem CID 118005417) has the molecular formula C7H5FN4O2 and a molecular weight of 196.14 g/mol. Its IUPAC name is 6-fluoro-3-methyl-8H-pteridine-2,7-dione.

Molecular Properties

Compound Name6-fluoro-3-methyl-8H-pteridine-2,7-dione
PubChem CID118005417
Molecular FormulaC7H5FN4O2
Molecular Weight196.14 g/mol
Exact Mass196.04
IUPAC Name6-fluoro-3-methyl-8H-pteridine-2,7-dione
SMILESCn1cc2nc(F)c(=O)[nH]c2nc1=O
InChIInChI=1S/C7H5FN4O2/c1-12-2-3-5(11-7(12)14)10-6(13)4(8)9-3/h2H,1H3,(H,10,11,13,14)
InChIKeyMHPSUULISBWXMI-UHFFFAOYSA-N
XLogP-0.84
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methyl-8H-pteridine-2,7-dione?
The IUPAC name of 6-fluoro-3-methyl-8H-pteridine-2,7-dione (CID 118005417) is 6-fluoro-3-methyl-8H-pteridine-2,7-dione.
What is the SMILES notation for 6-fluoro-3-methyl-8H-pteridine-2,7-dione?
The canonical SMILES for 6-fluoro-3-methyl-8H-pteridine-2,7-dione is Cn1cc2nc(F)c(=O)[nH]c2nc1=O.
What is the InChIKey of 6-fluoro-3-methyl-8H-pteridine-2,7-dione?
The InChIKey is MHPSUULISBWXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O2/c1-12-2-3-5(11-7(12)14)10-6(13)4(8)9-3/h2H,1H3,(H,10,11,13,14).
What are the key properties of 6-fluoro-3-methyl-8H-pteridine-2,7-dione?
6-fluoro-3-methyl-8H-pteridine-2,7-dione has a molecular weight of 196.14 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methyl-8H-pteridine-2,7-dione is sourced from PubChem (CID 118005417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).