4-chloro-6-naphthalen-2-ylsulfanylpyrimidine

C14H9ClN2S — CID 61277554

IUPAC4-chloro-6-naphthalen-2-ylsulfanylpyrimidine
SMILESClc1cc(Sc2ccc3ccccc3c2)ncn1
InChIInChI=1S/C14H9ClN2S/c15-13-8-14(17-9-16-13)18-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H
InChIKeyYVYJXUDTHFPKSB-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.43
Rot. Bonds2

About 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine

4-chloro-6-naphthalen-2-ylsulfanylpyrimidine (PubChem CID 61277554) has the molecular formula C14H9ClN2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-naphthalen-2-ylsulfanylpyrimidine
PubChem CID61277554
Molecular FormulaC14H9ClN2S
Molecular Weight272.76 g/mol
Exact Mass272.02
IUPAC Name4-chloro-6-naphthalen-2-ylsulfanylpyrimidine
SMILESClc1cc(Sc2ccc3ccccc3c2)ncn1
InChIInChI=1S/C14H9ClN2S/c15-13-8-14(17-9-16-13)18-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H
InChIKeyYVYJXUDTHFPKSB-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine (CID 61277554) is 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine is Clc1cc(Sc2ccc3ccccc3c2)ncn1.
What is the InChIKey of 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine?
The InChIKey is YVYJXUDTHFPKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S/c15-13-8-14(17-9-16-13)18-12-6-5-10-3-1-2-4-11(10)7-12/h1-9H.
What are the key properties of 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine?
4-chloro-6-naphthalen-2-ylsulfanylpyrimidine has a molecular weight of 272.76 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-naphthalen-2-ylsulfanylpyrimidine is sourced from PubChem (CID 61277554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).