6-methyl-7,8-dihydro-1H-pteridin-2-one

C7H8N4O — CID 596409

IUPAC6-methyl-7,8-dihydro-1H-pteridin-2-one
SMILESCC1=Nc2cnc(=O)[nH]c2NC1
InChIInChI=1S/C7H8N4O/c1-4-2-8-6-5(10-4)3-9-7(12)11-6/h3H,2H2,1H3,(H2,8,9,11,12)
InChIKeyVSTHSUFIPXGKSB-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.29
Rot. Bonds

About 6-methyl-7,8-dihydro-1H-pteridin-2-one

6-methyl-7,8-dihydro-1H-pteridin-2-one (PubChem CID 596409) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 6-methyl-7,8-dihydro-1H-pteridin-2-one.

Molecular Properties

Compound Name6-methyl-7,8-dihydro-1H-pteridin-2-one
PubChem CID596409
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name6-methyl-7,8-dihydro-1H-pteridin-2-one
SMILESCC1=Nc2cnc(=O)[nH]c2NC1
InChIInChI=1S/C7H8N4O/c1-4-2-8-6-5(10-4)3-9-7(12)11-6/h3H,2H2,1H3,(H2,8,9,11,12)
InChIKeyVSTHSUFIPXGKSB-UHFFFAOYSA-N
XLogP0.29
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7,8-dihydro-1H-pteridin-2-one?
The IUPAC name of 6-methyl-7,8-dihydro-1H-pteridin-2-one (CID 596409) is 6-methyl-7,8-dihydro-1H-pteridin-2-one.
What is the SMILES notation for 6-methyl-7,8-dihydro-1H-pteridin-2-one?
The canonical SMILES for 6-methyl-7,8-dihydro-1H-pteridin-2-one is CC1=Nc2cnc(=O)[nH]c2NC1.
What is the InChIKey of 6-methyl-7,8-dihydro-1H-pteridin-2-one?
The InChIKey is VSTHSUFIPXGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-2-8-6-5(10-4)3-9-7(12)11-6/h3H,2H2,1H3,(H2,8,9,11,12).
What are the key properties of 6-methyl-7,8-dihydro-1H-pteridin-2-one?
6-methyl-7,8-dihydro-1H-pteridin-2-one has a molecular weight of 164.17 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,8-dihydro-1H-pteridin-2-one is sourced from PubChem (CID 596409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).