5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione

C16H14N2S — CID 106513978

IUPAC5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione
SMILESCCc1c(-c2cccc3ccccc23)[nH]cnc1=S
InChIInChI=1S/C16H14N2S/c1-2-12-15(17-10-18-16(12)19)14-9-5-7-11-6-3-4-8-13(11)14/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyVPHWXAQSSYAHJW-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.52
Rot. Bonds2

About 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione

5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione (PubChem CID 106513978) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione
PubChem CID106513978
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione
SMILESCCc1c(-c2cccc3ccccc23)[nH]cnc1=S
InChIInChI=1S/C16H14N2S/c1-2-12-15(17-10-18-16(12)19)14-9-5-7-11-6-3-4-8-13(11)14/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyVPHWXAQSSYAHJW-UHFFFAOYSA-N
XLogP4.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.52
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-quinolin-8-yl-1H-pyrimidine-4-thione
CID 106519661
6-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
CID 106516821
5-methyl-6-(2-methylphenyl)-1H-pyrimidine-4-thione
CID 106514473
5-methoxy-6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521547
5-methoxy-4-naphthalen-1-yl-1H-pyrimidin-6-one
CID 136691786
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
(2-naphthalen-1-ylphenyl)boronic acid
CID 66736681
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione (CID 106513978) is 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione is CCc1c(-c2cccc3ccccc23)[nH]cnc1=S.
What is the InChIKey of 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione?
The InChIKey is VPHWXAQSSYAHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-2-12-15(17-10-18-16(12)19)14-9-5-7-11-6-3-4-8-13(11)14/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione?
5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione has a molecular weight of 266.37 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-naphthalen-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106513978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).