4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine

C18H22N4 — CID 95816040

IUPAC4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nccc([C@H]3CCCN3C3CCCC3)n2)nc1
InChIInChI=1S/C18H22N4/c1-2-7-14(6-1)22-13-5-9-17(22)15-10-12-20-18(21-15)16-8-3-4-11-19-16/h3-4,8,10-12,14,17H,1-2,5-7,9,13H2/t17-/m1/s1
InChIKeyXMFFXODOEACNGB-QGZVFWFLSA-N
MW294.40 g/mol
LogP3.62
Rot. Bonds3

About 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine

4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine (PubChem CID 95816040) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine
PubChem CID95816040
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine
SMILESc1ccc(-c2nccc([C@H]3CCCN3C3CCCC3)n2)nc1
InChIInChI=1S/C18H22N4/c1-2-7-14(6-1)22-13-5-9-17(22)15-10-12-20-18(21-15)16-8-3-4-11-19-16/h3-4,8,10-12,14,17H,1-2,5-7,9,13H2/t17-/m1/s1
InChIKeyXMFFXODOEACNGB-QGZVFWFLSA-N
XLogP3.62
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine (CID 95816040) is 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine is c1ccc(-c2nccc([C@H]3CCCN3C3CCCC3)n2)nc1.
What is the InChIKey of 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine?
The InChIKey is XMFFXODOEACNGB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N4/c1-2-7-14(6-1)22-13-5-9-17(22)15-10-12-20-18(21-15)16-8-3-4-11-19-16/h3-4,8,10-12,14,17H,1-2,5-7,9,13H2/t17-/m1/s1.
What are the key properties of 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine?
4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine has a molecular weight of 294.40 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-cyclopentylpyrrolidin-2-yl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 95816040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).