4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine

C11H15ClN2OS — CID 80544505

IUPAC4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OCC2CCCC2)n1
InChIInChI=1S/C11H15ClN2OS/c1-16-11-13-9(12)6-10(14-11)15-7-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3
InChIKeyNXXVWJZUAFMLRJ-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.42
Rot. Bonds4

About 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine

4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine (PubChem CID 80544505) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine
PubChem CID80544505
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)cc(OCC2CCCC2)n1
InChIInChI=1S/C11H15ClN2OS/c1-16-11-13-9(12)6-10(14-11)15-7-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3
InChIKeyNXXVWJZUAFMLRJ-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine (CID 80544505) is 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine is CSc1nc(Cl)cc(OCC2CCCC2)n1.
What is the InChIKey of 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine?
The InChIKey is NXXVWJZUAFMLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-16-11-13-9(12)6-10(14-11)15-7-8-4-2-3-5-8/h6,8H,2-5,7H2,1H3.
What are the key properties of 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine?
4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine has a molecular weight of 258.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclopentylmethoxy)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 80544505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).