4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine

C11H11ClN4S — CID 80945971

IUPAC4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine
SMILESCCCc1nc(Cl)cc(Sc2ccncn2)n1
InChIInChI=1S/C11H11ClN4S/c1-2-3-9-15-8(12)6-11(16-9)17-10-4-5-13-7-14-10/h4-7H,2-3H2,1H3
InChIKeyQLCXLUXJHPOWKG-UHFFFAOYSA-N
MW266.76 g/mol
LogP3.02
Rot. Bonds4

About 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine

4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine (PubChem CID 80945971) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine
PubChem CID80945971
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine
SMILESCCCc1nc(Cl)cc(Sc2ccncn2)n1
InChIInChI=1S/C11H11ClN4S/c1-2-3-9-15-8(12)6-11(16-9)17-10-4-5-13-7-14-10/h4-7H,2-3H2,1H3
InChIKeyQLCXLUXJHPOWKG-UHFFFAOYSA-N
XLogP3.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-2-ethyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 80936034
4-chloro-2-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 63698531
4-chloro-6-(3,4-dichlorophenyl)sulfanyl-2-propylpyrimidine
CID 80945057
4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine
CID 80945968
2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923473
4-benzylsulfanyl-6-chloro-2-propylpyrimidine
CID 80945651
2-chloro-4-pyrimidin-4-ylsulfanylpyrimidine
CID 63697644
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520
N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566849
4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
CID 80946529
N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 80888853
6-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-2-propylpyrimidin-4-amine
CID 80946945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine (CID 80945971) is 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine is CCCc1nc(Cl)cc(Sc2ccncn2)n1.
What is the InChIKey of 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine?
The InChIKey is QLCXLUXJHPOWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-2-3-9-15-8(12)6-11(16-9)17-10-4-5-13-7-14-10/h4-7H,2-3H2,1H3.
What are the key properties of 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine?
4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine has a molecular weight of 266.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine is sourced from PubChem (CID 80945971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).