6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione

C9H10F3N3S — CID 82192259

IUPAC6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
SMILESCN1CCc2[nH]c(=S)nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H10F3N3S/c1-15-3-2-6-5(4-15)7(9(10,11)12)14-8(16)13-6/h2-4H2,1H3,(H,13,14,16)
InChIKeyJLWGYDRHWTUIQH-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.15
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione

6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione (PubChem CID 82192259) has the molecular formula C9H10F3N3S and a molecular weight of 249.26 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
PubChem CID82192259
Molecular FormulaC9H10F3N3S
Molecular Weight249.26 g/mol
Exact Mass249.05
IUPAC Name6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
SMILESCN1CCc2[nH]c(=S)nc(C(F)(F)F)c2C1
InChIInChI=1S/C9H10F3N3S/c1-15-3-2-6-5(4-15)7(9(10,11)12)14-8(16)13-6/h2-4H2,1H3,(H,13,14,16)
InChIKeyJLWGYDRHWTUIQH-UHFFFAOYSA-N
XLogP2.15
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-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

5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 91926999
7-methyl-2-sulfanylidene-5,6,8,9-tetrahydro-1H-pyrimido[4,5-d]azepine-4-carboxylic acid
CID 83871664
2-(7-methyl-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetic acid
CID 83871520
5-amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
CID 83871269
5-methyl-2,3-dimethylidene-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 91284133
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585641
2-methyl-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
CID 142873431
2-tert-butyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-3-carbaldehyde
CID 82392623
12-methyl-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
CID 68761682
4-methyl-4,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene
CID 68757376
6-methyl-4-pyridin-4-yl-2-sulfanylidene-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
CID 3435441
8-chloro-9-fluoro-2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59455009

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione (CID 82192259) is 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione is CN1CCc2[nH]c(=S)nc(C(F)(F)F)c2C1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The InChIKey is JLWGYDRHWTUIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3S/c1-15-3-2-6-5(4-15)7(9(10,11)12)14-8(16)13-6/h2-4H2,1H3,(H,13,14,16).
What are the key properties of 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione has a molecular weight of 249.26 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione is sourced from PubChem (CID 82192259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).