6-methyl-3,4-dihydro-1H-pyrimidine-2-thione

C5H8N2S — CID 13134055

IUPAC6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CCNC(=S)N1
InChIInChI=1S/C5H8N2S/c1-4-2-3-6-5(8)7-4/h2H,3H2,1H3,(H2,6,7,8)
InChIKeyQFMYNYBQGDAHDF-UHFFFAOYSA-N
MW128.20 g/mol
LogP0.37
Rot. Bonds

About 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione

6-methyl-3,4-dihydro-1H-pyrimidine-2-thione (PubChem CID 13134055) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
PubChem CID13134055
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name6-methyl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC1=CCNC(=S)N1
InChIInChI=1S/C5H8N2S/c1-4-2-3-6-5(8)7-4/h2H,3H2,1H3,(H2,6,7,8)
InChIKeyQFMYNYBQGDAHDF-UHFFFAOYSA-N
XLogP0.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione (CID 13134055) is 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione is CC1=CCNC(=S)N1.
What is the InChIKey of 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
The InChIKey is QFMYNYBQGDAHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4-2-3-6-5(8)7-4/h2H,3H2,1H3,(H2,6,7,8).
What are the key properties of 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione?
6-methyl-3,4-dihydro-1H-pyrimidine-2-thione has a molecular weight of 128.20 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 13134055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).