5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine

C14H10ClN3S — CID 80884713

IUPAC5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
SMILESNc1ncc(Cl)c(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H10ClN3S/c15-12-8-17-14(16)18-13(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,16,17,18)
InChIKeyYVYICRYXWOAIJI-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.02
Rot. Bonds2

About 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine

5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80884713) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
PubChem CID80884713
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine
SMILESNc1ncc(Cl)c(Sc2ccc3ccccc3c2)n1
InChIInChI=1S/C14H10ClN3S/c15-12-8-17-14(16)18-13(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,16,17,18)
InChIKeyYVYICRYXWOAIJI-UHFFFAOYSA-N
XLogP4.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine (CID 80884713) is 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine is Nc1ncc(Cl)c(Sc2ccc3ccccc3c2)n1.
What is the InChIKey of 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is YVYICRYXWOAIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-12-8-17-14(16)18-13(12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H2,16,17,18).
What are the key properties of 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine?
5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 287.78 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-naphthalen-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80884713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).