5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione

C14H14F2N4O2 — CID 91567635

IUPAC5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione
SMILESCCN1c2cc(F)c(F)cc2Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H14F2N4O2/c1-4-20-10-6-8(16)7(15)5-9(10)17-12-11(20)13(21)19(3)14(22)18(12)2/h5-6,17H,4H2,1-3H3
InChIKeyYFBGSGNYGMZFPF-UHFFFAOYSA-N
MW308.29 g/mol
LogP1.58
Rot. Bonds1

About 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione

5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione (PubChem CID 91567635) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione
PubChem CID91567635
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC Name5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione
SMILESCCN1c2cc(F)c(F)cc2Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C14H14F2N4O2/c1-4-20-10-6-8(16)7(15)5-9(10)17-12-11(20)13(21)19(3)14(22)18(12)2/h5-6,17H,4H2,1-3H3
InChIKeyYFBGSGNYGMZFPF-UHFFFAOYSA-N
XLogP1.58
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 8035402
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
6-amino-4-hydroxy-1-phenyl-5-(piperidin-1-yl)pyrimidin-2(1H)-one
CID 662455
Uracil, 5-(butylamino)-1,6-dimethyl-3-phenyl-
CID 208320
2-(4-amino-2,6-dioxo-5-piperidin-1-yl-3-propylpyrimidin-1-yl)-N-phenylacetamide
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6-amino-1-phenyl-5-(propylamino)-2,4(1H,3H)-pyrimidinedione
CID 2224200
6-amino-1-methyl-5-(4-phenylpiperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 2454145
N-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-3-hydroxyquinoxaline-1(2H)-carboxamide
CID 8030265
N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propanamide
CID 16258302
N-(2,4-dihydroxypyrimidin-5-yl)-N'-(3-fluorophenyl)urea
CID 22433699
Uracil, 1,6-dimethyl-5-(isopropylamino)-3-phenyl-
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Uracil, 3,6-dimethyl-5-(isopropylamino)-1-phenyl-
CID 208431

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione (CID 91567635) is 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione is CCN1c2cc(F)c(F)cc2Nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione?
The InChIKey is YFBGSGNYGMZFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-4-20-10-6-8(16)7(15)5-9(10)17-12-11(20)13(21)19(3)14(22)18(12)2/h5-6,17H,4H2,1-3H3.
What are the key properties of 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione?
5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione has a molecular weight of 308.29 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,8-difluoro-1,3-dimethyl-10H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 91567635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).