8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one

C16H14N4O2 — CID 3233701

IUPAC8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one
SMILESCc1nc2cnc(Oc3ccccc3)nc2n(C2CC2)c1=O
InChIInChI=1S/C16H14N4O2/c1-10-15(21)20(11-7-8-11)14-13(18-10)9-17-16(19-14)22-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3
InChIKeyGWMROFDRWNHFFY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.62
Rot. Bonds3

About 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one

8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one (PubChem CID 3233701) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one
PubChem CID3233701
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one
SMILESCc1nc2cnc(Oc3ccccc3)nc2n(C2CC2)c1=O
InChIInChI=1S/C16H14N4O2/c1-10-15(21)20(11-7-8-11)14-13(18-10)9-17-16(19-14)22-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3
InChIKeyGWMROFDRWNHFFY-UHFFFAOYSA-N
XLogP2.62
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one?
The IUPAC name of 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one (CID 3233701) is 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one?
The canonical SMILES for 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one is Cc1nc2cnc(Oc3ccccc3)nc2n(C2CC2)c1=O.
What is the InChIKey of 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one?
The InChIKey is GWMROFDRWNHFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-15(21)20(11-7-8-11)14-13(18-10)9-17-16(19-14)22-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one?
8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one has a molecular weight of 294.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-methyl-2-phenoxypteridin-7-one is sourced from PubChem (CID 3233701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).