2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine

C11H15ClN2 — CID 80656567

IUPAC2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
SMILESCc1cc(C2CCCC2)nc(CCl)n1
InChIInChI=1S/C11H15ClN2/c1-8-6-10(9-4-2-3-5-9)14-11(7-12)13-8/h6,9H,2-5,7H2,1H3
InChIKeyMGPBJTJWOOWCJS-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.18
Rot. Bonds2

About 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine

2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine (PubChem CID 80656567) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
PubChem CID80656567
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine
SMILESCc1cc(C2CCCC2)nc(CCl)n1
InChIInChI=1S/C11H15ClN2/c1-8-6-10(9-4-2-3-5-9)14-11(7-12)13-8/h6,9H,2-5,7H2,1H3
InChIKeyMGPBJTJWOOWCJS-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine?
The IUPAC name of 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine (CID 80656567) is 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine is Cc1cc(C2CCCC2)nc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine?
The InChIKey is MGPBJTJWOOWCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-8-6-10(9-4-2-3-5-9)14-11(7-12)13-8/h6,9H,2-5,7H2,1H3.
What are the key properties of 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine?
2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine has a molecular weight of 210.71 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-cyclopentyl-6-methylpyrimidine is sourced from PubChem (CID 80656567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).