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

C6H6N4O — CID 141033318

IUPAC6,8-dihydro-2H-pteridin-7-one
SMILESO=C1CN=C2C=NCN=C2N1
InChIInChI=1S/C6H6N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h1H,2-3H2,(H,9,10,11)
InChIKeySVCRCHJNDUFTEW-UHFFFAOYSA-N
MW150.14 g/mol
LogP-1.00
Rot. Bonds

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

6,8-dihydro-2H-pteridin-7-one (PubChem CID 141033318) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 6,8-dihydro-2H-pteridin-7-one.

Molecular Properties

Compound Name6,8-dihydro-2H-pteridin-7-one
PubChem CID141033318
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name6,8-dihydro-2H-pteridin-7-one
SMILESO=C1CN=C2C=NCN=C2N1
InChIInChI=1S/C6H6N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h1H,2-3H2,(H,9,10,11)
InChIKeySVCRCHJNDUFTEW-UHFFFAOYSA-N
XLogP-1.00
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4a,8a-dihydro-3H-pteridin-4-one
CID 20720864
3,4,6,8-tetrahydro-2H-pteridin-7-one
CID 69477152
2,8-Dihydropteridine-6,7-dione
CID 117653797
4a,8-Dihydropteridine-4,7-dione
CID 23422151
6-Methyl-4a,8-dihydropteridine-4,7-dione
CID 23422181
2-Amino-4a,8-dihydropteridine-4,7-dione
CID 135755303
4-Imino-4a,8-dihydropteridin-7-one
CID 167994518

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-2H-pteridin-7-one?
The IUPAC name of 6,8-dihydro-2H-pteridin-7-one (CID 141033318) is 6,8-dihydro-2H-pteridin-7-one.
What is the SMILES notation for 6,8-dihydro-2H-pteridin-7-one?
The canonical SMILES for 6,8-dihydro-2H-pteridin-7-one is O=C1CN=C2C=NCN=C2N1.
What is the InChIKey of 6,8-dihydro-2H-pteridin-7-one?
The InChIKey is SVCRCHJNDUFTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c11-5-2-8-4-1-7-3-9-6(4)10-5/h1H,2-3H2,(H,9,10,11).
What are the key properties of 6,8-dihydro-2H-pteridin-7-one?
6,8-dihydro-2H-pteridin-7-one has a molecular weight of 150.14 g/mol, XLogP of -1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-2H-pteridin-7-one is sourced from PubChem (CID 141033318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).