4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione

C14H15N3S — CID 82089313

IUPAC4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione
SMILESNc1cc(-c2ccc3c(c2)CCCC3)[nH]c(=S)n1
InChIInChI=1S/C14H15N3S/c15-13-8-12(16-14(18)17-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H3,15,16,17,18)
InChIKeyNJIZKSYQZILTON-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.27
Rot. Bonds1

About 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione

4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione (PubChem CID 82089313) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione
PubChem CID82089313
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione
SMILESNc1cc(-c2ccc3c(c2)CCCC3)[nH]c(=S)n1
InChIInChI=1S/C14H15N3S/c15-13-8-12(16-14(18)17-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H3,15,16,17,18)
InChIKeyNJIZKSYQZILTON-UHFFFAOYSA-N
XLogP3.27
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione?
The IUPAC name of 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione (CID 82089313) is 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione?
The canonical SMILES for 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione is Nc1cc(-c2ccc3c(c2)CCCC3)[nH]c(=S)n1.
What is the InChIKey of 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione?
The InChIKey is NJIZKSYQZILTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c15-13-8-12(16-14(18)17-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H3,15,16,17,18).
What are the key properties of 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione?
4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione has a molecular weight of 257.36 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 82089313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).