4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine

C14H20ClN3 — CID 55231234

IUPAC4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1N1CCCC1C1CCCC1
InChIInChI=1S/C14H20ClN3/c1-10-13(15)16-9-17-14(10)18-8-4-7-12(18)11-5-2-3-6-11/h9,11-12H,2-8H2,1H3
InChIKeyRYDMZOBURZMSNW-UHFFFAOYSA-N
MW265.79 g/mol
LogP3.60
Rot. Bonds2

About 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine

4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine (PubChem CID 55231234) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine
PubChem CID55231234
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine
SMILESCc1c(Cl)ncnc1N1CCCC1C1CCCC1
InChIInChI=1S/C14H20ClN3/c1-10-13(15)16-9-17-14(10)18-8-4-7-12(18)11-5-2-3-6-11/h9,11-12H,2-8H2,1H3
InChIKeyRYDMZOBURZMSNW-UHFFFAOYSA-N
XLogP3.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine (CID 55231234) is 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine is Cc1c(Cl)ncnc1N1CCCC1C1CCCC1.
What is the InChIKey of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine?
The InChIKey is RYDMZOBURZMSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-10-13(15)16-9-17-14(10)18-8-4-7-12(18)11-5-2-3-6-11/h9,11-12H,2-8H2,1H3.
What are the key properties of 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine?
4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine has a molecular weight of 265.79 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 55231234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).