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

C11H13N5O — CID 3233923

IUPAC8-cyclopropyl-2-(dimethylamino)pteridin-7-one
SMILESCN(C)c1ncc2ncc(=O)n(C3CC3)c2n1
InChIInChI=1S/C11H13N5O/c1-15(2)11-13-5-8-10(14-11)16(7-3-4-7)9(17)6-12-8/h5-7H,3-4H2,1-2H3
InChIKeyXXGDWOOMPYLCJO-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.59
Rot. Bonds2

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

8-cyclopropyl-2-(dimethylamino)pteridin-7-one (PubChem CID 3233923) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 8-cyclopropyl-2-(dimethylamino)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(dimethylamino)pteridin-7-one
PubChem CID3233923
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name8-cyclopropyl-2-(dimethylamino)pteridin-7-one
SMILESCN(C)c1ncc2ncc(=O)n(C3CC3)c2n1
InChIInChI=1S/C11H13N5O/c1-15(2)11-13-5-8-10(14-11)16(7-3-4-7)9(17)6-12-8/h5-7H,3-4H2,1-2H3
InChIKeyXXGDWOOMPYLCJO-UHFFFAOYSA-N
XLogP0.59
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.59
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)pteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-(dimethylamino)pteridin-7-one (CID 3233923) is 8-cyclopropyl-2-(dimethylamino)pteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(dimethylamino)pteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(dimethylamino)pteridin-7-one is CN(C)c1ncc2ncc(=O)n(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-2-(dimethylamino)pteridin-7-one?
The InChIKey is XXGDWOOMPYLCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-15(2)11-13-5-8-10(14-11)16(7-3-4-7)9(17)6-12-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 8-cyclopropyl-2-(dimethylamino)pteridin-7-one?
8-cyclopropyl-2-(dimethylamino)pteridin-7-one has a molecular weight of 231.26 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(dimethylamino)pteridin-7-one is sourced from PubChem (CID 3233923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).