4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine

C13H19ClN2S — CID 80946529

IUPAC4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(SC2CCCCC2)n1
InChIInChI=1S/C13H19ClN2S/c1-2-6-12-15-11(14)9-13(16-12)17-10-7-4-3-5-8-10/h9-10H,2-8H2,1H3
InChIKeyDUFDRJIIGURWMA-UHFFFAOYSA-N
MW270.83 g/mol
LogP4.51
Rot. Bonds4

About 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine

4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine (PubChem CID 80946529) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
PubChem CID80946529
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(SC2CCCCC2)n1
InChIInChI=1S/C13H19ClN2S/c1-2-6-12-15-11(14)9-13(16-12)17-10-7-4-3-5-8-10/h9-10H,2-8H2,1H3
InChIKeyDUFDRJIIGURWMA-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-methylcyclohexyl)sulfanyl-2-propylpyrimidine
CID 80946262
6-cyclopentylsulfanyl-2-propylpyrimidin-4-amine
CID 80946943
6-cyclohexylsulfanyl-N-methyl-2-propylpyrimidin-4-amine
CID 80947316
6-chloro-N-(cyclohexylmethyl)-2-propylpyrimidin-4-amine
CID 80940255
6-cyclohexylsulfanyl-N,2-diethylpyrimidin-4-amine
CID 80937260
6-chloro-N-cyclohexyl-N-ethyl-2-propylpyrimidin-4-amine
CID 80940885
2-chloro-6-cyclohexylsulfanyl-4-(trifluoromethyl)pyridine
CID 102716318
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
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-chloro-6-(3,4-dichlorophenyl)sulfanyl-2-propylpyrimidine
CID 80945057
4-benzylsulfanyl-6-chloro-2-propylpyrimidine
CID 80945651

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine (CID 80946529) is 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine is CCCc1nc(Cl)cc(SC2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine?
The InChIKey is DUFDRJIIGURWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-2-6-12-15-11(14)9-13(16-12)17-10-7-4-3-5-8-10/h9-10H,2-8H2,1H3.
What are the key properties of 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine?
4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine has a molecular weight of 270.83 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine is sourced from PubChem (CID 80946529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).