8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one

C17H18N4O2 — CID 11515116

IUPAC8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one
SMILESCOc1ncc2nc(C(C)C)c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C17H18N4O2/c1-11(2)14-16(22)21(10-12-7-5-4-6-8-12)15-13(19-14)9-18-17(20-15)23-3/h4-9,11H,10H2,1-3H3
InChIKeyZEHCITAWQOSFEX-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.37
Rot. Bonds4

About 8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one

8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one (PubChem CID 11515116) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one
PubChem CID11515116
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one
SMILESCOc1ncc2nc(C(C)C)c(=O)n(Cc3ccccc3)c2n1
InChIInChI=1S/C17H18N4O2/c1-11(2)14-16(22)21(10-12-7-5-4-6-8-12)15-13(19-14)9-18-17(20-15)23-3/h4-9,11H,10H2,1-3H3
InChIKeyZEHCITAWQOSFEX-UHFFFAOYSA-N
XLogP2.37
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
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-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one?
The IUPAC name of 8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one (CID 11515116) is 8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one.
What is the SMILES notation for 8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one?
The canonical SMILES for 8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one is COc1ncc2nc(C(C)C)c(=O)n(Cc3ccccc3)c2n1.
What is the InChIKey of 8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one?
The InChIKey is ZEHCITAWQOSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(2)14-16(22)21(10-12-7-5-4-6-8-12)15-13(19-14)9-18-17(20-15)23-3/h4-9,11H,10H2,1-3H3.
What are the key properties of 8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one?
8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one has a molecular weight of 310.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-2-methoxy-6-propan-2-ylpteridin-7-one is sourced from PubChem (CID 11515116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).