2,2,3-trimethyl-1H-pyrimidine-6-thione

C7H12N2S — CID 20694653

IUPAC2,2,3-trimethyl-1H-pyrimidine-6-thione
SMILESCN1C=CC(=S)NC1(C)C
InChIInChI=1S/C7H12N2S/c1-7(2)8-6(10)4-5-9(7)3/h4-5H,1-3H3,(H,8,10)
InChIKeyNUPIGTCYATUVKJ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.10
Rot. Bonds

About 2,2,3-trimethyl-1H-pyrimidine-6-thione

2,2,3-trimethyl-1H-pyrimidine-6-thione (PubChem CID 20694653) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2,2,3-trimethyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2,2,3-trimethyl-1H-pyrimidine-6-thione
PubChem CID20694653
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2,2,3-trimethyl-1H-pyrimidine-6-thione
SMILESCN1C=CC(=S)NC1(C)C
InChIInChI=1S/C7H12N2S/c1-7(2)8-6(10)4-5-9(7)3/h4-5H,1-3H3,(H,8,10)
InChIKeyNUPIGTCYATUVKJ-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3-trimethyl-1H-pyrimidine-6-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-2,4-dithiouracil
CID 23422236
Dihydro-4(3H)-pyrimidinthion
CID 18173008
Methyl(1h,4h)-pyrimidine-2-thiol
CID 129705090
4-Methyl-2-thiocytosin
CID 129891054
4-methyl-3-prop-2-enyl-1H-imidazole-2-thione
CID 135030229
1-Prop-2-enylpyrimidine-2,4-dithione
CID 11608044
3,6-Dimethyl-1,6-dihydropyrimidine-2-thione
CID 13351388
1-Isopropyl-3,4-dihydropyrimidine-2(1H)-thione
CID 21222590
3-Methyl-1,4-dihydropyrimidine-2-thione
CID 54562588
3-Butylpyrimidine-2,4(1H,3H)-dithione
CID 71339126
2-methylidene-1H-pyrimidine-4-thione
CID 88377339
2-Methylidene-1-propan-2-ylpyrimidine-4-thione
CID 89629856

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-1H-pyrimidine-6-thione?
The IUPAC name of 2,2,3-trimethyl-1H-pyrimidine-6-thione (CID 20694653) is 2,2,3-trimethyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 2,2,3-trimethyl-1H-pyrimidine-6-thione?
The canonical SMILES for 2,2,3-trimethyl-1H-pyrimidine-6-thione is CN1C=CC(=S)NC1(C)C.
What is the InChIKey of 2,2,3-trimethyl-1H-pyrimidine-6-thione?
The InChIKey is NUPIGTCYATUVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-7(2)8-6(10)4-5-9(7)3/h4-5H,1-3H3,(H,8,10).
What are the key properties of 2,2,3-trimethyl-1H-pyrimidine-6-thione?
2,2,3-trimethyl-1H-pyrimidine-6-thione has a molecular weight of 156.25 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 20694653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).