4-amino-2-(dimethylamino)-8H-pteridine-7-thione

C8H10N6S — CID 5409419

IUPAC4-amino-2-(dimethylamino)-8H-pteridine-7-thione
SMILESCN(C)c1nc(N)c2ncc(=S)[nH]c2n1
InChIInChI=1S/C8H10N6S/c1-14(2)8-12-6(9)5-7(13-8)11-4(15)3-10-5/h3H,1-2H3,(H3,9,11,12,13,15)
InChIKeyDHIJTHGHDMBJQV-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.73
Rot. Bonds1

About 4-amino-2-(dimethylamino)-8H-pteridine-7-thione

4-amino-2-(dimethylamino)-8H-pteridine-7-thione (PubChem CID 5409419) has the molecular formula C8H10N6S and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-8H-pteridine-7-thione.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-8H-pteridine-7-thione
PubChem CID5409419
Molecular FormulaC8H10N6S
Molecular Weight222.28 g/mol
Exact Mass222.07
IUPAC Name4-amino-2-(dimethylamino)-8H-pteridine-7-thione
SMILESCN(C)c1nc(N)c2ncc(=S)[nH]c2n1
InChIInChI=1S/C8H10N6S/c1-14(2)8-12-6(9)5-7(13-8)11-4(15)3-10-5/h3H,1-2H3,(H3,9,11,12,13,15)
InChIKeyDHIJTHGHDMBJQV-UHFFFAOYSA-N
XLogP0.73
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-8H-pteridine-7-thione?
The IUPAC name of 4-amino-2-(dimethylamino)-8H-pteridine-7-thione (CID 5409419) is 4-amino-2-(dimethylamino)-8H-pteridine-7-thione.
What is the SMILES notation for 4-amino-2-(dimethylamino)-8H-pteridine-7-thione?
The canonical SMILES for 4-amino-2-(dimethylamino)-8H-pteridine-7-thione is CN(C)c1nc(N)c2ncc(=S)[nH]c2n1.
What is the InChIKey of 4-amino-2-(dimethylamino)-8H-pteridine-7-thione?
The InChIKey is DHIJTHGHDMBJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6S/c1-14(2)8-12-6(9)5-7(13-8)11-4(15)3-10-5/h3H,1-2H3,(H3,9,11,12,13,15).
What are the key properties of 4-amino-2-(dimethylamino)-8H-pteridine-7-thione?
4-amino-2-(dimethylamino)-8H-pteridine-7-thione has a molecular weight of 222.28 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-8H-pteridine-7-thione is sourced from PubChem (CID 5409419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).