8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione

C16H18N4O2 — CID 171384451

IUPAC8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione
SMILESCC1=Nc2c([nH]c(=O)n(C)c2=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C16H18N4O2/c1-10-11(2)20(9-12-7-5-4-6-8-12)14-13(17-10)15(21)19(3)16(22)18-14/h4-8,11H,9H2,1-3H3,(H,18,22)
InChIKeyONQTYXMNAYCRAZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.57
Rot. Bonds2

About 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione

8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione (PubChem CID 171384451) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione.

Molecular Properties

Compound Name8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione
PubChem CID171384451
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione
SMILESCC1=Nc2c([nH]c(=O)n(C)c2=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C16H18N4O2/c1-10-11(2)20(9-12-7-5-4-6-8-12)14-13(17-10)15(21)19(3)16(22)18-14/h4-8,11H,9H2,1-3H3,(H,18,22)
InChIKeyONQTYXMNAYCRAZ-UHFFFAOYSA-N
XLogP1.57
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione?
The IUPAC name of 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione (CID 171384451) is 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione.
What is the SMILES notation for 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione?
The canonical SMILES for 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione is CC1=Nc2c([nH]c(=O)n(C)c2=O)N(Cc2ccccc2)C1C.
What is the InChIKey of 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione?
The InChIKey is ONQTYXMNAYCRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-11(2)20(9-12-7-5-4-6-8-12)14-13(17-10)15(21)19(3)16(22)18-14/h4-8,11H,9H2,1-3H3,(H,18,22).
What are the key properties of 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione?
8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione has a molecular weight of 298.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3,6,7-trimethyl-1,7-dihydropteridine-2,4-dione is sourced from PubChem (CID 171384451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).