4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine

C14H15ClN2S — CID 65142097

IUPAC4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(CSc2ccccc2)n1
InChIInChI=1S/C14H15ClN2S/c1-2-6-11-9-13(15)17-14(16-11)10-18-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3
InChIKeyRQTNYPRLYZHBFW-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.37
Rot. Bonds5

About 4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine

4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine (PubChem CID 65142097) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine
PubChem CID65142097
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine
SMILESCCCc1cc(Cl)nc(CSc2ccccc2)n1
InChIInChI=1S/C14H15ClN2S/c1-2-6-11-9-13(15)17-14(16-11)10-18-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3
InChIKeyRQTNYPRLYZHBFW-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine (CID 65142097) is 4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine is CCCc1cc(Cl)nc(CSc2ccccc2)n1.
What is the InChIKey of 4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine?
The InChIKey is RQTNYPRLYZHBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-2-6-11-9-13(15)17-14(16-11)10-18-12-7-4-3-5-8-12/h3-5,7-9H,2,6,10H2,1H3.
What are the key properties of 4-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine?
4-chloro-2-(phenylsulfanylmethyl)-6-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-chloro-2-(phenylsulfanylmethyl)-6-propylpyrimidine is sourced from PubChem (CID 65142097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).