2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione

C17H16N2S — CID 106475412

IUPAC2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C17H16N2S/c1-11(2)15-10-16(20)19-17(18-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,18,19,20)
InChIKeyAEVAWATVPBLJDZ-UHFFFAOYSA-N
MW280.40 g/mol
LogP5.08
Rot. Bonds2

About 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione

2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475412) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475412
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C17H16N2S/c1-11(2)15-10-16(20)19-17(18-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,18,19,20)
InChIKeyAEVAWATVPBLJDZ-UHFFFAOYSA-N
XLogP5.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.40
LogP ≤ 55.08
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

2-(4-bromo-3,5-dimethylphenyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475468
5,6-dimethyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106476691
2-(2-methylfuran-3-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475357
5-ethyl-6-methyl-2-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106476936
2-[5-fluoro-2-(trifluoromethyl)phenyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475464
2-tert-butyl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475305
2-(methoxymethyl)-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514869
2-(1-phenylcyclopentyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475499
2-naphthalen-2-yl-4-phenyl-1H-pyrimidin-6-one
CID 135932128
ethane;2-naphthalen-2-yl-1H-imidazole
CID 145111016
2-ethyl-5-methyl-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514830
6-bromo-4-methyl-2-naphthalen-2-yl-1H-benzimidazole
CID 104574503

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475412) is 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is AEVAWATVPBLJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-11(2)15-10-16(20)19-17(18-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,18,19,20).
What are the key properties of 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione?
2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 280.40 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).