4,6-dimethyl-1,2-dihydropyrimidine-2-thiol

C6H10N2S — CID 122493325

IUPAC4,6-dimethyl-1,2-dihydropyrimidine-2-thiol
SMILESCC1=CC(C)=NC(S)N1
InChIInChI=1S/C6H10N2S/c1-4-3-5(2)8-6(9)7-4/h3,6-7,9H,1-2H3
InChIKeyVOODFXPPZGKFOK-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.17
Rot. Bonds

About 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol

4,6-dimethyl-1,2-dihydropyrimidine-2-thiol (PubChem CID 122493325) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol.

Molecular Properties

Compound Name4,6-dimethyl-1,2-dihydropyrimidine-2-thiol
PubChem CID122493325
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4,6-dimethyl-1,2-dihydropyrimidine-2-thiol
SMILESCC1=CC(C)=NC(S)N1
InChIInChI=1S/C6H10N2S/c1-4-3-5(2)8-6(9)7-4/h3,6-7,9H,1-2H3
InChIKeyVOODFXPPZGKFOK-UHFFFAOYSA-N
XLogP1.17
TPSA24.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol?
The IUPAC name of 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol (CID 122493325) is 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol.
What is the SMILES notation for 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol?
The canonical SMILES for 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol is CC1=CC(C)=NC(S)N1.
What is the InChIKey of 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol?
The InChIKey is VOODFXPPZGKFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-4-3-5(2)8-6(9)7-4/h3,6-7,9H,1-2H3.
What are the key properties of 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol?
4,6-dimethyl-1,2-dihydropyrimidine-2-thiol has a molecular weight of 142.23 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,2-dihydropyrimidine-2-thiol is sourced from PubChem (CID 122493325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).