6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione

C17H20N2S — CID 106478316

IUPAC6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2CCc3ccccc3C2)nc(=S)c1C
InChIInChI=1S/C17H20N2S/c1-3-15-11(2)17(20)19-16(18-15)14-9-8-12-6-4-5-7-13(12)10-14/h4-7,14H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyYBAWEDCCRYNBAE-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.28
Rot. Bonds2

About 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione

6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106478316) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
PubChem CID106478316
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(C2CCc3ccccc3C2)nc(=S)c1C
InChIInChI=1S/C17H20N2S/c1-3-15-11(2)17(20)19-16(18-15)14-9-8-12-6-4-5-7-13(12)10-14/h4-7,14H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyYBAWEDCCRYNBAE-UHFFFAOYSA-N
XLogP4.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione (CID 106478316) is 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione is CCc1[nH]c(C2CCc3ccccc3C2)nc(=S)c1C.
What is the InChIKey of 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is YBAWEDCCRYNBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-3-15-11(2)17(20)19-16(18-15)14-9-8-12-6-4-5-7-13(12)10-14/h4-7,14H,3,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione?
6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 284.43 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).