5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione

C16H14N2S — CID 106476691

IUPAC5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2ccc3ccccc3c2)nc(=S)c1C
InChIInChI=1S/C16H14N2S/c1-10-11(2)17-15(18-16(10)19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyIIEWWFOFLRDPKV-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.58
Rot. Bonds1

About 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione

5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione (PubChem CID 106476691) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
PubChem CID106476691
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2ccc3ccccc3c2)nc(=S)c1C
InChIInChI=1S/C16H14N2S/c1-10-11(2)17-15(18-16(10)19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18,19)
InChIKeyIIEWWFOFLRDPKV-UHFFFAOYSA-N
XLogP4.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-methyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106476936
2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475412
2-ethyl-5-methyl-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514830
5,6-dimethyl-2-(3-methyl-2-pyridinyl)-1H-pyrimidine-4-thione
CID 106476755
6-methyl-2-quinolin-6-yl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143172186
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503
6-methyl-2-(4-phenylphenyl)-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 143172163
2-(3-chloro-2-pyridinyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476709
5,6-dimethyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidine-4-thione
CID 106476615
2-(5-bromothiophen-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476810
5-bromo-2-(3-fluoro-4-methylphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479156
2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106794205

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione (CID 106476691) is 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(-c2ccc3ccccc3c2)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione?
The InChIKey is IIEWWFOFLRDPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-10-11(2)17-15(18-16(10)19)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione?
5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione has a molecular weight of 266.37 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).