1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone

C11H14N4O2 — CID 23422334

IUPAC1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone
SMILESCC(=O)N1CCN(C(C)=O)c2c(C)ncnc21
InChIInChI=1S/C11H14N4O2/c1-7-10-11(13-6-12-7)15(9(3)17)5-4-14(10)8(2)16/h6H,4-5H2,1-3H3
InChIKeyFIGLVDZQRZKELT-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.50
Rot. Bonds

About 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone

1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone (PubChem CID 23422334) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone
PubChem CID23422334
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone
SMILESCC(=O)N1CCN(C(C)=O)c2c(C)ncnc21
InChIInChI=1S/C11H14N4O2/c1-7-10-11(13-6-12-7)15(9(3)17)5-4-14(10)8(2)16/h6H,4-5H2,1-3H3
InChIKeyFIGLVDZQRZKELT-UHFFFAOYSA-N
XLogP0.50
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone?
The IUPAC name of 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone (CID 23422334) is 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone.
What is the SMILES notation for 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone?
The canonical SMILES for 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone is CC(=O)N1CCN(C(C)=O)c2c(C)ncnc21.
What is the InChIKey of 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone?
The InChIKey is FIGLVDZQRZKELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-10-11(13-6-12-7)15(9(3)17)5-4-14(10)8(2)16/h6H,4-5H2,1-3H3.
What are the key properties of 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone?
1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone has a molecular weight of 234.26 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-acetyl-4-methyl-6,7-dihydropteridin-5-yl)ethanone is sourced from PubChem (CID 23422334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).