6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione

C15H12N2OS — CID 116900649

IUPAC6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione
SMILESCOc1ccc2cc(-c3ccnc(=S)[nH]3)ccc2c1
InChIInChI=1S/C15H12N2OS/c1-18-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-16-15(19)17-14/h2-9H,1H3,(H,16,17,19)
InChIKeyPQTJXOBOEJBIAX-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.97
Rot. Bonds2

About 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione

6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione (PubChem CID 116900649) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione
PubChem CID116900649
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione
SMILESCOc1ccc2cc(-c3ccnc(=S)[nH]3)ccc2c1
InChIInChI=1S/C15H12N2OS/c1-18-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-16-15(19)17-14/h2-9H,1H3,(H,16,17,19)
InChIKeyPQTJXOBOEJBIAX-UHFFFAOYSA-N
XLogP3.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.97
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

6-(2-fluoro-4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 106520926
6-(3,5-dimethylphenyl)-1H-pyrimidine-2-thione
CID 106513682
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
5-(6-methoxynaphthalen-2-yl)-1H-imidazole
CID 122368222
4-ethoxy-6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
CID 24976004
7-[5-(6-methoxynaphthalen-2-yl)-1H-imidazol-2-yl]heptanamide
CID 90149185
4-(6-methoxynaphthalen-2-yl)pyridine-2-carboxylic acid
CID 58138528
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
5-(6-methoxynaphthalen-2-yl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 155817119
6-methoxy-3-(1H-pyrazol-5-yl)quinoline
CID 50962357
5-(6-methoxynaphthalen-2-yl)pyrimidin-2-amine
CID 122237679

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione (CID 116900649) is 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione is COc1ccc2cc(-c3ccnc(=S)[nH]3)ccc2c1.
What is the InChIKey of 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione?
The InChIKey is PQTJXOBOEJBIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-18-13-5-4-10-8-12(3-2-11(10)9-13)14-6-7-16-15(19)17-14/h2-9H,1H3,(H,16,17,19).
What are the key properties of 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione?
6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione has a molecular weight of 268.34 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxynaphthalen-2-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 116900649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).