8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione

C14H14N4O2 — CID 171384434

IUPAC8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)N=CCN2Cc1ccccc1
InChIInChI=1S/C14H14N4O2/c1-17-13(19)11-12(16-14(17)20)18(8-7-15-11)9-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyMQIUWIXSQWGSPR-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.80
Rot. Bonds2

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

8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione (PubChem CID 171384434) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione.

Molecular Properties

Compound Name8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione
PubChem CID171384434
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)N=CCN2Cc1ccccc1
InChIInChI=1S/C14H14N4O2/c1-17-13(19)11-12(16-14(17)20)18(8-7-15-11)9-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,20)
InChIKeyMQIUWIXSQWGSPR-UHFFFAOYSA-N
XLogP0.80
TPSA70.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione?
The IUPAC name of 8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione (CID 171384434) is 8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione.
What is the SMILES notation for 8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione?
The canonical SMILES for 8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione is Cn1c(=O)[nH]c2c(c1=O)N=CCN2Cc1ccccc1.
What is the InChIKey of 8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione?
The InChIKey is MQIUWIXSQWGSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-17-13(19)11-12(16-14(17)20)18(8-7-15-11)9-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,16,20).
What are the key properties of 8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione?
8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-methyl-1,7-dihydropteridine-2,4-dione is sourced from PubChem (CID 171384434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).