8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one

C16H15N5O2 — CID 3233089

IUPAC8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one
SMILESCOc1cccc(Nc2ncc3ncc(=O)n(C4CC4)c3n2)c1
InChIInChI=1S/C16H15N5O2/c1-23-12-4-2-3-10(7-12)19-16-18-8-13-15(20-16)21(11-5-6-11)14(22)9-17-13/h2-4,7-9,11H,5-6H2,1H3,(H,18,19,20)
InChIKeyBYVSBOOTZAZYHJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.27
Rot. Bonds4

About 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one

8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one (PubChem CID 3233089) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one
PubChem CID3233089
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one
SMILESCOc1cccc(Nc2ncc3ncc(=O)n(C4CC4)c3n2)c1
InChIInChI=1S/C16H15N5O2/c1-23-12-4-2-3-10(7-12)19-16-18-8-13-15(20-16)21(11-5-6-11)14(22)9-17-13/h2-4,7-9,11H,5-6H2,1H3,(H,18,19,20)
InChIKeyBYVSBOOTZAZYHJ-UHFFFAOYSA-N
XLogP2.27
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one (CID 3233089) is 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one is COc1cccc(Nc2ncc3ncc(=O)n(C4CC4)c3n2)c1.
What is the InChIKey of 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one?
The InChIKey is BYVSBOOTZAZYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-23-12-4-2-3-10(7-12)19-16-18-8-13-15(20-16)21(11-5-6-11)14(22)9-17-13/h2-4,7-9,11H,5-6H2,1H3,(H,18,19,20).
What are the key properties of 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one?
8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one has a molecular weight of 309.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(3-methoxyanilino)pteridin-7-one is sourced from PubChem (CID 3233089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).