6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

C15H10N4S — CID 143172186

IUPAC6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1[nH]c(-c2ccc3ncccc3c2)nc(=S)c1C#N
InChIInChI=1S/C15H10N4S/c1-9-12(8-16)15(20)19-14(18-9)11-4-5-13-10(7-11)3-2-6-17-13/h2-7H,1H3,(H,18,19,20)
InChIKeyZJSYBGJGVOXRMO-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.53
Rot. Bonds1

About 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile

6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (PubChem CID 143172186) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
PubChem CID143172186
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
SMILESCc1[nH]c(-c2ccc3ncccc3c2)nc(=S)c1C#N
InChIInChI=1S/C15H10N4S/c1-9-12(8-16)15(20)19-14(18-9)11-4-5-13-10(7-11)3-2-6-17-13/h2-7H,1H3,(H,18,19,20)
InChIKeyZJSYBGJGVOXRMO-UHFFFAOYSA-N
XLogP3.53
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.53
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

6-methyl-2-(4-phenylphenyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143172163
2-(4-cyanophenyl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143172162
5-bromo-6-cyclopropyl-2-quinolin-6-yl-1H-pyrimidine-4-thione
CID 106480484
6-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)quinoline
CID 63724172
2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 134693303
6-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)quinoline
CID 79791281
2-[3-[(5-cyano-2-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)methyl]-4-propylphenyl]-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143295069
5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106476691
4-(1H-imidazo[4,5-g]quinolin-2-yl)benzonitrile
CID 127044220
2-hydroxy-5-quinolin-6-ylbenzonitrile
CID 83130277
6-(3-methylphenyl)quinoline
CID 4185278
N-methyl-2-quinolin-6-yl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79816594

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile (CID 143172186) is 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is Cc1[nH]c(-c2ccc3ncccc3c2)nc(=S)c1C#N.
What is the InChIKey of 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
The InChIKey is ZJSYBGJGVOXRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-9-12(8-16)15(20)19-14(18-9)11-4-5-13-10(7-11)3-2-6-17-13/h2-7H,1H3,(H,18,19,20).
What are the key properties of 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile?
6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile has a molecular weight of 278.34 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 143172186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).