8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one

C14H22N4O — CID 123461562

IUPAC8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(C)nc2N1C(C)(C)C
InChIInChI=1S/C14H22N4O/c1-7-10-13(19)17(6)11-8-15-9(2)16-12(11)18(10)14(3,4)5/h8,10H,7H2,1-6H3
InChIKeyMYRNMBWOQDVJMI-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.14
Rot. Bonds1

About 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one

8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one (PubChem CID 123461562) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one.

Molecular Properties

Compound Name8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one
PubChem CID123461562
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one
SMILESCCC1C(=O)N(C)c2cnc(C)nc2N1C(C)(C)C
InChIInChI=1S/C14H22N4O/c1-7-10-13(19)17(6)11-8-15-9(2)16-12(11)18(10)14(3,4)5/h8,10H,7H2,1-6H3
InChIKeyMYRNMBWOQDVJMI-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one?
The IUPAC name of 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one (CID 123461562) is 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one.
What is the SMILES notation for 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one?
The canonical SMILES for 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one is CCC1C(=O)N(C)c2cnc(C)nc2N1C(C)(C)C.
What is the InChIKey of 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one?
The InChIKey is MYRNMBWOQDVJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-7-10-13(19)17(6)11-8-15-9(2)16-12(11)18(10)14(3,4)5/h8,10H,7H2,1-6H3.
What are the key properties of 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one?
8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one has a molecular weight of 262.36 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-7-ethyl-2,5-dimethyl-7H-pteridin-6-one is sourced from PubChem (CID 123461562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).