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

C19H21N5O — CID 3232671

IUPAC8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one
SMILESCN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C19H21N5O/c1-23(2)19-20-12-16-17(22-19)24(14-9-10-14)18(25)15(21-16)11-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyJVIBPZDFURLCRP-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.37
Rot. Bonds5

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

8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one (PubChem CID 3232671) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one
PubChem CID3232671
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one
SMILESCN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C19H21N5O/c1-23(2)19-20-12-16-17(22-19)24(14-9-10-14)18(25)15(21-16)11-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyJVIBPZDFURLCRP-UHFFFAOYSA-N
XLogP2.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one (CID 3232671) is 8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one is CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one?
The InChIKey is JVIBPZDFURLCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23(2)19-20-12-16-17(22-19)24(14-9-10-14)18(25)15(21-16)11-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one?
8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one has a molecular weight of 335.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(dimethylamino)-6-(2-phenylethyl)pteridin-7-one is sourced from PubChem (CID 3232671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).