2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide

C15H16N4S — CID 107546214

IUPAC2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide
SMILESCC1CCc2ccccc2N1c1nccc(C(N)=S)n1
InChIInChI=1S/C15H16N4S/c1-10-6-7-11-4-2-3-5-13(11)19(10)15-17-9-8-12(18-15)14(16)20/h2-5,8-10H,6-7H2,1H3,(H2,16,20)
InChIKeyDDEAWYRNTKOHJT-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.58
Rot. Bonds2

About 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide

2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide (PubChem CID 107546214) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide
PubChem CID107546214
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide
SMILESCC1CCc2ccccc2N1c1nccc(C(N)=S)n1
InChIInChI=1S/C15H16N4S/c1-10-6-7-11-4-2-3-5-13(11)19(10)15-17-9-8-12(18-15)14(16)20/h2-5,8-10H,6-7H2,1H3,(H2,16,20)
InChIKeyDDEAWYRNTKOHJT-UHFFFAOYSA-N
XLogP2.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-5-yl]methanol
CID 83184186
4-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxylic acid
CID 83180870
2-(2,4-dimethylpiperazin-1-yl)pyrimidine-4-carbothioamide
CID 114086676
3-fluoro-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 43657710
2-methyl-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 81270073
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboximidamide
CID 64596515
2-(2-ethylpyrrolidin-1-yl)pyrimidine-4-carbothioamide
CID 107546728
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide
CID 62684204
[4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]methanol
CID 61254539
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carbothioamide
CID 107548161
5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide
CID 115488133
6-methyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbonitrile
CID 107543315

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide?
The IUPAC name of 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide (CID 107546214) is 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide?
The canonical SMILES for 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide is CC1CCc2ccccc2N1c1nccc(C(N)=S)n1.
What is the InChIKey of 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide?
The InChIKey is DDEAWYRNTKOHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-6-7-11-4-2-3-5-13(11)19(10)15-17-9-8-12(18-15)14(16)20/h2-5,8-10H,6-7H2,1H3,(H2,16,20).
What are the key properties of 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide?
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide has a molecular weight of 284.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4-carbothioamide is sourced from PubChem (CID 107546214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).