2,5,7,8-tetrahydro-1H-pteridin-6-one

C6H8N4O — CID 118607942

IUPAC2,5,7,8-tetrahydro-1H-pteridin-6-one
SMILESO=C1CNC2=C(C=NCN2)N1
InChIInChI=1S/C6H8N4O/c11-5-2-8-6-4(10-5)1-7-3-9-6/h1,8-9H,2-3H2,(H,10,11)
InChIKeyCWTHYLAVTBECTD-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.49
Rot. Bonds

About 2,5,7,8-tetrahydro-1H-pteridin-6-one

2,5,7,8-tetrahydro-1H-pteridin-6-one (PubChem CID 118607942) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 2,5,7,8-tetrahydro-1H-pteridin-6-one.

Molecular Properties

Compound Name2,5,7,8-tetrahydro-1H-pteridin-6-one
PubChem CID118607942
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name2,5,7,8-tetrahydro-1H-pteridin-6-one
SMILESO=C1CNC2=C(C=NCN2)N1
InChIInChI=1S/C6H8N4O/c11-5-2-8-6-4(10-5)1-7-3-9-6/h1,8-9H,2-3H2,(H,10,11)
InChIKeyCWTHYLAVTBECTD-UHFFFAOYSA-N
XLogP-1.49
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,7,8-tetrahydro-1H-pteridin-6-one?
The IUPAC name of 2,5,7,8-tetrahydro-1H-pteridin-6-one (CID 118607942) is 2,5,7,8-tetrahydro-1H-pteridin-6-one.
What is the SMILES notation for 2,5,7,8-tetrahydro-1H-pteridin-6-one?
The canonical SMILES for 2,5,7,8-tetrahydro-1H-pteridin-6-one is O=C1CNC2=C(C=NCN2)N1.
What is the InChIKey of 2,5,7,8-tetrahydro-1H-pteridin-6-one?
The InChIKey is CWTHYLAVTBECTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c11-5-2-8-6-4(10-5)1-7-3-9-6/h1,8-9H,2-3H2,(H,10,11).
What are the key properties of 2,5,7,8-tetrahydro-1H-pteridin-6-one?
2,5,7,8-tetrahydro-1H-pteridin-6-one has a molecular weight of 152.16 g/mol, XLogP of -1.49, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7,8-tetrahydro-1H-pteridin-6-one is sourced from PubChem (CID 118607942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).