2-cyclopentylsulfanyl-4-methylpyrimidine

C10H14N2S — CID 131205465

IUPAC2-cyclopentylsulfanyl-4-methylpyrimidine
SMILESCc1ccnc(SC2CCCC2)n1
InChIInChI=1S/C10H14N2S/c1-8-6-7-11-10(12-8)13-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyZZPSXDIXADDZRG-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.82
Rot. Bonds2

About 2-cyclopentylsulfanyl-4-methylpyrimidine

2-cyclopentylsulfanyl-4-methylpyrimidine (PubChem CID 131205465) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-4-methylpyrimidine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-4-methylpyrimidine
PubChem CID131205465
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-cyclopentylsulfanyl-4-methylpyrimidine
SMILESCc1ccnc(SC2CCCC2)n1
InChIInChI=1S/C10H14N2S/c1-8-6-7-11-10(12-8)13-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3
InChIKeyZZPSXDIXADDZRG-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-4-methylpyrimidine?
The IUPAC name of 2-cyclopentylsulfanyl-4-methylpyrimidine (CID 131205465) is 2-cyclopentylsulfanyl-4-methylpyrimidine.
What is the SMILES notation for 2-cyclopentylsulfanyl-4-methylpyrimidine?
The canonical SMILES for 2-cyclopentylsulfanyl-4-methylpyrimidine is Cc1ccnc(SC2CCCC2)n1.
What is the InChIKey of 2-cyclopentylsulfanyl-4-methylpyrimidine?
The InChIKey is ZZPSXDIXADDZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-8-6-7-11-10(12-8)13-9-4-2-3-5-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 2-cyclopentylsulfanyl-4-methylpyrimidine?
2-cyclopentylsulfanyl-4-methylpyrimidine has a molecular weight of 194.30 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-4-methylpyrimidine is sourced from PubChem (CID 131205465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).