2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one

C6H9N5O2 — CID 162372467

IUPAC2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one
SMILESNC1NC(=O)C2NC=CN=C2N1O
InChIInChI=1S/C6H9N5O2/c7-6-10-5(12)3-4(11(6)13)9-2-1-8-3/h1-3,6,8,13H,7H2,(H,10,12)
InChIKeyQEKRDMLJQNXMRM-UHFFFAOYSA-N
MW183.17 g/mol
LogP-2.11
Rot. Bonds

About 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one

2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one (PubChem CID 162372467) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one.

Molecular Properties

Compound Name2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one
PubChem CID162372467
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one
SMILESNC1NC(=O)C2NC=CN=C2N1O
InChIInChI=1S/C6H9N5O2/c7-6-10-5(12)3-4(11(6)13)9-2-1-8-3/h1-3,6,8,13H,7H2,(H,10,12)
InChIKeyQEKRDMLJQNXMRM-UHFFFAOYSA-N
XLogP-2.11
TPSA102.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one?
The IUPAC name of 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one (CID 162372467) is 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one.
What is the SMILES notation for 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one?
The canonical SMILES for 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one is NC1NC(=O)C2NC=CN=C2N1O.
What is the InChIKey of 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one?
The InChIKey is QEKRDMLJQNXMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-6-10-5(12)3-4(11(6)13)9-2-1-8-3/h1-3,6,8,13H,7H2,(H,10,12).
What are the key properties of 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one?
2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one has a molecular weight of 183.17 g/mol, XLogP of -2.11, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroxy-2,3,4a,5-tetrahydropteridin-4-one is sourced from PubChem (CID 162372467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).