8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione

C16H13F3N4O2 — CID 8835619

IUPAC8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione
SMILESCCn1cc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C16H13F3N4O2/c1-3-23-8-11(9-4-6-10(7-5-9)16(17,18)19)20-12-13(23)21-15(25)22(2)14(12)24/h4-8H,3H2,1-2H3
InChIKeyLWFLBCMAIRFRKV-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.15
Rot. Bonds2

About 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione

8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione (PubChem CID 8835619) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione.

Molecular Properties

Compound Name8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione
PubChem CID8835619
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione
SMILESCCn1cc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2
InChIInChI=1S/C16H13F3N4O2/c1-3-23-8-11(9-4-6-10(7-5-9)16(17,18)19)20-12-13(23)21-15(25)22(2)14(12)24/h4-8H,3H2,1-2H3
InChIKeyLWFLBCMAIRFRKV-UHFFFAOYSA-N
XLogP2.15
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione?
The IUPAC name of 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione (CID 8835619) is 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione.
What is the SMILES notation for 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione?
The canonical SMILES for 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione is CCn1cc(-c2ccc(C(F)(F)F)cc2)nc2c(=O)n(C)c(=O)nc1-2.
What is the InChIKey of 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione?
The InChIKey is LWFLBCMAIRFRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-3-23-8-11(9-4-6-10(7-5-9)16(17,18)19)20-12-13(23)21-15(25)22(2)14(12)24/h4-8H,3H2,1-2H3.
What are the key properties of 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione?
8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione has a molecular weight of 350.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3-methyl-6-[4-(trifluoromethyl)phenyl]pteridine-2,4-dione is sourced from PubChem (CID 8835619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).