6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione

C17H18N2S — CID 106478570

IUPAC6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(C2CCc3ccccc3C2)n1
InChIInChI=1S/C17H18N2S/c20-16-10-15(12-6-7-12)18-17(19-16)14-8-5-11-3-1-2-4-13(11)9-14/h1-4,10,12,14H,5-9H2,(H,18,19,20)
InChIKeyYKBKFYMMXHJIHI-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.29
Rot. Bonds2

About 6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione

6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106478570) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
PubChem CID106478570
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
SMILESS=c1cc(C2CC2)[nH]c(C2CCc3ccccc3C2)n1
InChIInChI=1S/C17H18N2S/c20-16-10-15(12-6-7-12)18-17(19-16)14-8-5-11-3-1-2-4-13(11)9-14/h1-4,10,12,14H,5-9H2,(H,18,19,20)
InChIKeyYKBKFYMMXHJIHI-UHFFFAOYSA-N
XLogP4.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.29
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-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione (CID 106478570) is 6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione is S=c1cc(C2CC2)[nH]c(C2CCc3ccccc3C2)n1.
What is the InChIKey of 6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is YKBKFYMMXHJIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c20-16-10-15(12-6-7-12)18-17(19-16)14-8-5-11-3-1-2-4-13(11)9-14/h1-4,10,12,14H,5-9H2,(H,18,19,20).
What are the key properties of 6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione?
6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 282.41 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).