2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one

C6H9N5O — CID 73188274

IUPAC2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one
SMILESNC1NC(=O)C2=NCCN=C2N1
InChIInChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h6H,1-2,7H2,(H,9,10)(H,11,12)
InChIKeyFMXISFBIIIIIAA-UHFFFAOYSA-N
MW167.17 g/mol
LogP-2.20
Rot. Bonds

About 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one

2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one (PubChem CID 73188274) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one
PubChem CID73188274
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC Name2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one
SMILESNC1NC(=O)C2=NCCN=C2N1
InChIInChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h6H,1-2,7H2,(H,9,10)(H,11,12)
InChIKeyFMXISFBIIIIIAA-UHFFFAOYSA-N
XLogP-2.20
TPSA91.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one?
The IUPAC name of 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one (CID 73188274) is 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one.
What is the SMILES notation for 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one?
The canonical SMILES for 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one is NC1NC(=O)C2=NCCN=C2N1.
What is the InChIKey of 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one?
The InChIKey is FMXISFBIIIIIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h6H,1-2,7H2,(H,9,10)(H,11,12).
What are the key properties of 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one?
2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one has a molecular weight of 167.17 g/mol, XLogP of -2.20, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3,6,7-tetrahydro-1H-pteridin-4-one is sourced from PubChem (CID 73188274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).