4-benzylsulfanyl-6-chloro-2-propylpyrimidine

C14H15ClN2S — CID 80945651

IUPAC4-benzylsulfanyl-6-chloro-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(SCc2ccccc2)n1
InChIInChI=1S/C14H15ClN2S/c1-2-6-13-16-12(15)9-14(17-13)18-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3
InChIKeyPFBHGDIGAYIPKU-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.37
Rot. Bonds5

About 4-benzylsulfanyl-6-chloro-2-propylpyrimidine

4-benzylsulfanyl-6-chloro-2-propylpyrimidine (PubChem CID 80945651) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-benzylsulfanyl-6-chloro-2-propylpyrimidine.

Molecular Properties

Compound Name4-benzylsulfanyl-6-chloro-2-propylpyrimidine
PubChem CID80945651
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-benzylsulfanyl-6-chloro-2-propylpyrimidine
SMILESCCCc1nc(Cl)cc(SCc2ccccc2)n1
InChIInChI=1S/C14H15ClN2S/c1-2-6-13-16-12(15)9-14(17-13)18-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3
InChIKeyPFBHGDIGAYIPKU-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine
CID 80945968
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
4-chloro-6-(3,4-dichlorophenyl)sulfanyl-2-propylpyrimidine
CID 80945057
4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine
CID 65142097
4-chloro-2-propyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 80945971
4-benzylsulfanyl-N-ethyl-6-methylpyrimidin-2-amine
CID 80884832
4-chloro-6-cyclohexylsulfanyl-2-propylpyrimidine
CID 80946529
6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
CID 80888395
2-(6-chloro-2-propylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 106923473
1-benzylsulfanyl-3-chloroisoquinoline
CID 97182203
4-chloro-2-ethyl-6-pentylsulfanylpyrimidine
CID 107751102
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-6-chloro-2-propylpyrimidine?
The IUPAC name of 4-benzylsulfanyl-6-chloro-2-propylpyrimidine (CID 80945651) is 4-benzylsulfanyl-6-chloro-2-propylpyrimidine.
What is the SMILES notation for 4-benzylsulfanyl-6-chloro-2-propylpyrimidine?
The canonical SMILES for 4-benzylsulfanyl-6-chloro-2-propylpyrimidine is CCCc1nc(Cl)cc(SCc2ccccc2)n1.
What is the InChIKey of 4-benzylsulfanyl-6-chloro-2-propylpyrimidine?
The InChIKey is PFBHGDIGAYIPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-2-6-13-16-12(15)9-14(17-13)18-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3.
What are the key properties of 4-benzylsulfanyl-6-chloro-2-propylpyrimidine?
4-benzylsulfanyl-6-chloro-2-propylpyrimidine has a molecular weight of 278.81 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-6-chloro-2-propylpyrimidine is sourced from PubChem (CID 80945651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).