8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one

C17H16N4O — CID 3232696

IUPAC8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cncnc2n1C1CC1
InChIInChI=1S/C17H16N4O/c22-17-14(9-6-12-4-2-1-3-5-12)20-15-10-18-11-19-16(15)21(17)13-7-8-13/h1-5,10-11,13H,6-9H2
InChIKeyVRCQXAYIACANPN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.31
Rot. Bonds4

About 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one

8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3232696) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one
PubChem CID3232696
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one
SMILESO=c1c(CCc2ccccc2)nc2cncnc2n1C1CC1
InChIInChI=1S/C17H16N4O/c22-17-14(9-6-12-4-2-1-3-5-12)20-15-10-18-11-19-16(15)21(17)13-7-8-13/h1-5,10-11,13H,6-9H2
InChIKeyVRCQXAYIACANPN-UHFFFAOYSA-N
XLogP2.31
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-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-cyclopropyl-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one (CID 3232696) is 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one is O=c1c(CCc2ccccc2)nc2cncnc2n1C1CC1.
What is the InChIKey of 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is VRCQXAYIACANPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17-14(9-6-12-4-2-1-3-5-12)20-15-10-18-11-19-16(15)21(17)13-7-8-13/h1-5,10-11,13H,6-9H2.
What are the key properties of 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one?
8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 292.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3232696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).