8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione

C15H16N4O2 — CID 171384406

IUPAC8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione
SMILESCC1=Nc2c([nH]c(=O)[nH]c2=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C15H16N4O2/c1-9-10(2)19(8-11-6-4-3-5-7-11)13-12(16-9)14(20)18-15(21)17-13/h3-7,10H,8H2,1-2H3,(H2,17,18,20,21)
InChIKeyFYFCKTWNPUCPEP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.56
Rot. Bonds2

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

8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione (PubChem CID 171384406) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione.

Molecular Properties

Compound Name8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione
PubChem CID171384406
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione
SMILESCC1=Nc2c([nH]c(=O)[nH]c2=O)N(Cc2ccccc2)C1C
InChIInChI=1S/C15H16N4O2/c1-9-10(2)19(8-11-6-4-3-5-7-11)13-12(16-9)14(20)18-15(21)17-13/h3-7,10H,8H2,1-2H3,(H2,17,18,20,21)
InChIKeyFYFCKTWNPUCPEP-UHFFFAOYSA-N
XLogP1.56
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione?
The IUPAC name of 8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione (CID 171384406) is 8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione.
What is the SMILES notation for 8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione?
The canonical SMILES for 8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione is CC1=Nc2c([nH]c(=O)[nH]c2=O)N(Cc2ccccc2)C1C.
What is the InChIKey of 8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione?
The InChIKey is FYFCKTWNPUCPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-10(2)19(8-11-6-4-3-5-7-11)13-12(16-9)14(20)18-15(21)17-13/h3-7,10H,8H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione?
8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione has a molecular weight of 284.32 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6,7-dimethyl-1,7-dihydropteridine-2,4-dione is sourced from PubChem (CID 171384406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).