1,4,6-trimethyl-2H-pyrimidine-2-thiol

C7H12N2S — CID 145284132

IUPAC1,4,6-trimethyl-2H-pyrimidine-2-thiol
SMILESCC1=CC(C)=NC(S)N1C
InChIInChI=1S/C7H12N2S/c1-5-4-6(2)9(3)7(10)8-5/h4,7,10H,1-3H3
InChIKeyHKUWHBYTKSOBNG-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.51
Rot. Bonds

About 1,4,6-trimethyl-2H-pyrimidine-2-thiol

1,4,6-trimethyl-2H-pyrimidine-2-thiol (PubChem CID 145284132) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 1,4,6-trimethyl-2H-pyrimidine-2-thiol.

Molecular Properties

Compound Name1,4,6-trimethyl-2H-pyrimidine-2-thiol
PubChem CID145284132
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name1,4,6-trimethyl-2H-pyrimidine-2-thiol
SMILESCC1=CC(C)=NC(S)N1C
InChIInChI=1S/C7H12N2S/c1-5-4-6(2)9(3)7(10)8-5/h4,7,10H,1-3H3
InChIKeyHKUWHBYTKSOBNG-UHFFFAOYSA-N
XLogP1.51
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4,6-Trimethyl-2-thiopyrimidine
CID 191485
1,2,4,6-tetramethyl-2H-pyrimidine
CID 407923
1,3,4,6-Tetramethylpyrimidin-1-ium-2-thione chloride
CID 12097269
1,3,4,6-Tetramethylpyrimidin-1-ium-2-thione
CID 12097270
4,6-Dimethyl-1-methylthiopyrimidine
CID 18756205
4,6-Dimethyl-1-mercaptopyrimidine
CID 18756213
1,3,4,6-tetramethyl-2H-pyrimidin-3-ium
CID 21342158
1,4,6-trimethyl-2H-pyrimidine
CID 53786617
4,6-Dimethyl-1,2-dihydropyrimidine-2-thiol
CID 122493325
1,4,6-Trimethyl-2-methylidenepyrimidine
CID 123254644
1,3,4,6-Tetramethyl-2-methylidenepyrimidin-1-ium
CID 123739476
(2E)-1,4,6-trimethyl-2-prop-2-enylidenepyrimidine
CID 143477369

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-2H-pyrimidine-2-thiol?
The IUPAC name of 1,4,6-trimethyl-2H-pyrimidine-2-thiol (CID 145284132) is 1,4,6-trimethyl-2H-pyrimidine-2-thiol.
What is the SMILES notation for 1,4,6-trimethyl-2H-pyrimidine-2-thiol?
The canonical SMILES for 1,4,6-trimethyl-2H-pyrimidine-2-thiol is CC1=CC(C)=NC(S)N1C.
What is the InChIKey of 1,4,6-trimethyl-2H-pyrimidine-2-thiol?
The InChIKey is HKUWHBYTKSOBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5-4-6(2)9(3)7(10)8-5/h4,7,10H,1-3H3.
What are the key properties of 1,4,6-trimethyl-2H-pyrimidine-2-thiol?
1,4,6-trimethyl-2H-pyrimidine-2-thiol has a molecular weight of 156.25 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-2H-pyrimidine-2-thiol is sourced from PubChem (CID 145284132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).