7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one

C14H19F3N4O — CID 58405299

IUPAC7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one
SMILESCCC1(C)C(=O)N(C)c2cnc(C)nc2N1CCC(F)(F)F
InChIInChI=1S/C14H19F3N4O/c1-5-13(3)12(22)20(4)10-8-18-9(2)19-11(10)21(13)7-6-14(15,16)17/h8H,5-7H2,1-4H3
InChIKeyFJXGOGSXCFTUME-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.69
Rot. Bonds3

About 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one

7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one (PubChem CID 58405299) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one.

Molecular Properties

Compound Name7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one
PubChem CID58405299
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one
SMILESCCC1(C)C(=O)N(C)c2cnc(C)nc2N1CCC(F)(F)F
InChIInChI=1S/C14H19F3N4O/c1-5-13(3)12(22)20(4)10-8-18-9(2)19-11(10)21(13)7-6-14(15,16)17/h8H,5-7H2,1-4H3
InChIKeyFJXGOGSXCFTUME-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one?
The IUPAC name of 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one (CID 58405299) is 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one.
What is the SMILES notation for 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one?
The canonical SMILES for 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one is CCC1(C)C(=O)N(C)c2cnc(C)nc2N1CCC(F)(F)F.
What is the InChIKey of 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one?
The InChIKey is FJXGOGSXCFTUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-5-13(3)12(22)20(4)10-8-18-9(2)19-11(10)21(13)7-6-14(15,16)17/h8H,5-7H2,1-4H3.
What are the key properties of 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one?
7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one has a molecular weight of 316.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,5,7-trimethyl-8-(3,3,3-trifluoropropyl)pteridin-6-one is sourced from PubChem (CID 58405299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).