3,6-dimethyl-1,6-dihydropyrimidine-2-thione

C6H10N2S — CID 13351388

IUPAC3,6-dimethyl-1,6-dihydropyrimidine-2-thione
SMILESCC1C=CN(C)C(=S)N1
InChIInChI=1S/C6H10N2S/c1-5-3-4-8(2)6(9)7-5/h3-5H,1-2H3,(H,7,9)
InChIKeyYUDSAVLMWLEDGT-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.71
Rot. Bonds

About 3,6-dimethyl-1,6-dihydropyrimidine-2-thione

3,6-dimethyl-1,6-dihydropyrimidine-2-thione (PubChem CID 13351388) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3,6-dimethyl-1,6-dihydropyrimidine-2-thione.

Molecular Properties

Compound Name3,6-dimethyl-1,6-dihydropyrimidine-2-thione
PubChem CID13351388
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3,6-dimethyl-1,6-dihydropyrimidine-2-thione
SMILESCC1C=CN(C)C(=S)N1
InChIInChI=1S/C6H10N2S/c1-5-3-4-8(2)6(9)7-5/h3-5H,1-2H3,(H,7,9)
InChIKeyYUDSAVLMWLEDGT-UHFFFAOYSA-N
XLogP0.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
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 3,6-dimethyl-1,6-dihydropyrimidine-2-thione?
The IUPAC name of 3,6-dimethyl-1,6-dihydropyrimidine-2-thione (CID 13351388) is 3,6-dimethyl-1,6-dihydropyrimidine-2-thione.
What is the SMILES notation for 3,6-dimethyl-1,6-dihydropyrimidine-2-thione?
The canonical SMILES for 3,6-dimethyl-1,6-dihydropyrimidine-2-thione is CC1C=CN(C)C(=S)N1.
What is the InChIKey of 3,6-dimethyl-1,6-dihydropyrimidine-2-thione?
The InChIKey is YUDSAVLMWLEDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-5-3-4-8(2)6(9)7-5/h3-5H,1-2H3,(H,7,9).
What are the key properties of 3,6-dimethyl-1,6-dihydropyrimidine-2-thione?
3,6-dimethyl-1,6-dihydropyrimidine-2-thione has a molecular weight of 142.23 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,6-dihydropyrimidine-2-thione is sourced from PubChem (CID 13351388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).