4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine

C13H10Cl2N2S — CID 80951761

IUPAC4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
SMILESClc1ccc(Sc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C13H10Cl2N2S/c14-9-3-5-10(6-4-9)18-12-7-11(15)16-13(17-12)8-1-2-8/h3-8H,1-2H2
InChIKeyQAQCNMIXBITHOI-UHFFFAOYSA-N
MW297.21 g/mol
LogP4.81
Rot. Bonds3

About 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine

4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine (PubChem CID 80951761) has the molecular formula C13H10Cl2N2S and a molecular weight of 297.21 g/mol. Its IUPAC name is 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
PubChem CID80951761
Molecular FormulaC13H10Cl2N2S
Molecular Weight297.21 g/mol
Exact Mass295.99
IUPAC Name4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine
SMILESClc1ccc(Sc2cc(Cl)nc(C3CC3)n2)cc1
InChIInChI=1S/C13H10Cl2N2S/c14-9-3-5-10(6-4-9)18-12-7-11(15)16-13(17-12)8-1-2-8/h3-8H,1-2H2
InChIKeyQAQCNMIXBITHOI-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine?
The IUPAC name of 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine (CID 80951761) is 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine?
The canonical SMILES for 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine is Clc1ccc(Sc2cc(Cl)nc(C3CC3)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine?
The InChIKey is QAQCNMIXBITHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2S/c14-9-3-5-10(6-4-9)18-12-7-11(15)16-13(17-12)8-1-2-8/h3-8H,1-2H2.
What are the key properties of 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine?
4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine has a molecular weight of 297.21 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chlorophenyl)sulfanyl-2-cyclopropylpyrimidine is sourced from PubChem (CID 80951761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).