6-hydroxy-5-methyl-6,8-dihydropteridin-7-one

C7H8N4O2 — CID 53435949

IUPAC6-hydroxy-5-methyl-6,8-dihydropteridin-7-one
SMILESCN1c2cncnc2NC(=O)C1O
InChIInChI=1S/C7H8N4O2/c1-11-4-2-8-3-9-5(4)10-6(12)7(11)13/h2-3,7,13H,1H3,(H,8,9,10,12)
InChIKeyHGMICOAUKQSYPC-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.82
Rot. Bonds

About 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one

6-hydroxy-5-methyl-6,8-dihydropteridin-7-one (PubChem CID 53435949) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one.

Molecular Properties

Compound Name6-hydroxy-5-methyl-6,8-dihydropteridin-7-one
PubChem CID53435949
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name6-hydroxy-5-methyl-6,8-dihydropteridin-7-one
SMILESCN1c2cncnc2NC(=O)C1O
InChIInChI=1S/C7H8N4O2/c1-11-4-2-8-3-9-5(4)10-6(12)7(11)13/h2-3,7,13H,1H3,(H,8,9,10,12)
InChIKeyHGMICOAUKQSYPC-UHFFFAOYSA-N
XLogP-0.82
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one?
The IUPAC name of 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one (CID 53435949) is 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one.
What is the SMILES notation for 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one?
The canonical SMILES for 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one is CN1c2cncnc2NC(=O)C1O.
What is the InChIKey of 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one?
The InChIKey is HGMICOAUKQSYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-11-4-2-8-3-9-5(4)10-6(12)7(11)13/h2-3,7,13H,1H3,(H,8,9,10,12).
What are the key properties of 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one?
6-hydroxy-5-methyl-6,8-dihydropteridin-7-one has a molecular weight of 180.17 g/mol, XLogP of -0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-6,8-dihydropteridin-7-one is sourced from PubChem (CID 53435949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).