4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine

C12H9Cl2N3S — CID 80951915

IUPAC4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
SMILESClc1ccc(Sc2cc(Cl)nc(C3CC3)n2)nc1
InChIInChI=1S/C12H9Cl2N3S/c13-8-3-4-10(15-6-8)18-11-5-9(14)16-12(17-11)7-1-2-7/h3-7H,1-2H2
InChIKeyDESUDBSUJDQOEL-UHFFFAOYSA-N
MW298.20 g/mol
LogP4.21
Rot. Bonds3

About 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine

4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine (PubChem CID 80951915) has the molecular formula C12H9Cl2N3S and a molecular weight of 298.20 g/mol. Its IUPAC name is 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
PubChem CID80951915
Molecular FormulaC12H9Cl2N3S
Molecular Weight298.20 g/mol
Exact Mass296.99
IUPAC Name4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
SMILESClc1ccc(Sc2cc(Cl)nc(C3CC3)n2)nc1
InChIInChI=1S/C12H9Cl2N3S/c13-8-3-4-10(15-6-8)18-11-5-9(14)16-12(17-11)7-1-2-7/h3-7H,1-2H2
InChIKeyDESUDBSUJDQOEL-UHFFFAOYSA-N
XLogP4.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine?
The IUPAC name of 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine (CID 80951915) is 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine?
The canonical SMILES for 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine is Clc1ccc(Sc2cc(Cl)nc(C3CC3)n2)nc1.
What is the InChIKey of 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine?
The InChIKey is DESUDBSUJDQOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3S/c13-8-3-4-10(15-6-8)18-11-5-9(14)16-12(17-11)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine?
4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine has a molecular weight of 298.20 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine is sourced from PubChem (CID 80951915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).