5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione

C14H11N3S — CID 106519751

IUPAC5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
SMILESCc1c(-c2ccc3cccnc3c2)[nH]cnc1=S
InChIInChI=1S/C14H11N3S/c1-9-13(16-8-17-14(9)18)11-5-4-10-3-2-6-15-12(10)7-11/h2-8H,1H3,(H,16,17,18)
InChIKeyCZROLKCJYPYWSJ-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.66
Rot. Bonds1

About 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione

5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione (PubChem CID 106519751) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
PubChem CID106519751
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
SMILESCc1c(-c2ccc3cccnc3c2)[nH]cnc1=S
InChIInChI=1S/C14H11N3S/c1-9-13(16-8-17-14(9)18)11-5-4-10-3-2-6-15-12(10)7-11/h2-8H,1H3,(H,16,17,18)
InChIKeyCZROLKCJYPYWSJ-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
CID 106519775
5-methyl-6-pyridin-3-yl-1H-pyrimidine-4-thione
CID 106513798
6-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521056
2-quinolin-7-yl-1H-pyridine-4-thione
CID 106519741
4-chloro-2-methyl-5-quinolin-7-yl-1,3-thiazole
CID 175879221
5-methyl-6-[3-(2-methylpropyl)phenyl]-1H-pyrimidine-4-thione
CID 106522084
2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one
CID 136769639
5-methyl-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514473
7-(6-bromo-2-pyridinyl)quinoline
CID 81221969
2-methyl-4-quinolin-7-ylaniline
CID 81223886
5-methyl-6-(1H-pyrrol-2-yl)-1H-pyrimidine-4-thione
CID 106523099
7-(6-chloro-5-methylpyrimidin-4-yl)quinoline
CID 77230233

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione (CID 106519751) is 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione is Cc1c(-c2ccc3cccnc3c2)[nH]cnc1=S.
What is the InChIKey of 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione?
The InChIKey is CZROLKCJYPYWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-9-13(16-8-17-14(9)18)11-5-4-10-3-2-6-15-12(10)7-11/h2-8H,1H3,(H,16,17,18).
What are the key properties of 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione?
5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione has a molecular weight of 253.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106519751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).