4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine

C14H21ClN2S — CID 65139776

IUPAC4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(CSC2CCCCC2)n1
InChIInChI=1S/C14H21ClN2S/c1-10(2)12-8-13(15)17-14(16-12)9-18-11-6-4-3-5-7-11/h8,10-11H,3-7,9H2,1-2H3
InChIKeyVJLWPLFNLPCTOO-UHFFFAOYSA-N
MW284.86 g/mol
LogP4.82
Rot. Bonds4

About 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine

4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine (PubChem CID 65139776) has the molecular formula C14H21ClN2S and a molecular weight of 284.86 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine
PubChem CID65139776
Molecular FormulaC14H21ClN2S
Molecular Weight284.86 g/mol
Exact Mass284.11
IUPAC Name4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(CSC2CCCCC2)n1
InChIInChI=1S/C14H21ClN2S/c1-10(2)12-8-13(15)17-14(16-12)9-18-11-6-4-3-5-7-11/h8,10-11H,3-7,9H2,1-2H3
InChIKeyVJLWPLFNLPCTOO-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.86
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine (CID 65139776) is 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(CSC2CCCCC2)n1.
What is the InChIKey of 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine?
The InChIKey is VJLWPLFNLPCTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2S/c1-10(2)12-8-13(15)17-14(16-12)9-18-11-6-4-3-5-7-11/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine has a molecular weight of 284.86 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexylsulfanylmethyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 65139776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).