4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione

C9H14N4S — CID 83871820

IUPAC4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
SMILESCN(C)c1nc(=S)[nH]c2c1CNCC2
InChIInChI=1S/C9H14N4S/c1-13(2)8-6-5-10-4-3-7(6)11-9(14)12-8/h10H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyWYBOBOZMKNSADG-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.85
Rot. Bonds1

About 4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione

4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione (PubChem CID 83871820) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
PubChem CID83871820
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione
SMILESCN(C)c1nc(=S)[nH]c2c1CNCC2
InChIInChI=1S/C9H14N4S/c1-13(2)8-6-5-10-4-3-7(6)11-9(14)12-8/h10H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyWYBOBOZMKNSADG-UHFFFAOYSA-N
XLogP0.85
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione?
The IUPAC name of 4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione (CID 83871820) is 4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione.
What is the SMILES notation for 4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione?
The canonical SMILES for 4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione is CN(C)c1nc(=S)[nH]c2c1CNCC2.
What is the InChIKey of 4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione?
The InChIKey is WYBOBOZMKNSADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-13(2)8-6-5-10-4-3-7(6)11-9(14)12-8/h10H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione?
4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione has a molecular weight of 210.31 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione is sourced from PubChem (CID 83871820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).