4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione

C7H12N2S — CID 965143

IUPAC4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
SMILESCC1=CC(C)(C)NC(=S)N1
InChIInChI=1S/C7H12N2S/c1-5-4-7(2,3)9-6(10)8-5/h4H,1-3H3,(H2,8,9,10)
InChIKeyXWJVPBHZMKZXII-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.15
Rot. Bonds

About 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione

4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione (PubChem CID 965143) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione.

Molecular Properties

Compound Name4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
PubChem CID965143
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione
SMILESCC1=CC(C)(C)NC(=S)N1
InChIInChI=1S/C7H12N2S/c1-5-4-7(2,3)9-6(10)8-5/h4H,1-3H3,(H2,8,9,10)
InChIKeyXWJVPBHZMKZXII-UHFFFAOYSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.15
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 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione?
The IUPAC name of 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione (CID 965143) is 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione.
What is the SMILES notation for 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione?
The canonical SMILES for 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione is CC1=CC(C)(C)NC(=S)N1.
What is the InChIKey of 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione?
The InChIKey is XWJVPBHZMKZXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5-4-7(2,3)9-6(10)8-5/h4H,1-3H3,(H2,8,9,10).
What are the key properties of 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione?
4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione has a molecular weight of 156.25 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-1,3-dihydropyrimidine-2-thione is sourced from PubChem (CID 965143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).