N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine

C20H32FN5 — CID 134707239

IUPACN-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1cnc(NCCC2CCN(C3CCCC3)CC2)nc1N1CCCC1
InChIInChI=1S/C20H32FN5/c21-18-15-23-20(24-19(18)26-11-3-4-12-26)22-10-7-16-8-13-25(14-9-16)17-5-1-2-6-17/h15-17H,1-14H2,(H,22,23,24)
InChIKeyJIHTZGKFNQTWSQ-UHFFFAOYSA-N
MW361.51 g/mol
LogP3.67
Rot. Bonds6

About N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine

N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 134707239) has the molecular formula C20H32FN5 and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID134707239
Molecular FormulaC20H32FN5
Molecular Weight361.51 g/mol
Exact Mass361.26
IUPAC NameN-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine
SMILESFc1cnc(NCCC2CCN(C3CCCC3)CC2)nc1N1CCCC1
InChIInChI=1S/C20H32FN5/c21-18-15-23-20(24-19(18)26-11-3-4-12-26)22-10-7-16-8-13-25(14-9-16)17-5-1-2-6-17/h15-17H,1-14H2,(H,22,23,24)
InChIKeyJIHTZGKFNQTWSQ-UHFFFAOYSA-N
XLogP3.67
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine (CID 134707239) is N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine is Fc1cnc(NCCC2CCN(C3CCCC3)CC2)nc1N1CCCC1.
What is the InChIKey of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is JIHTZGKFNQTWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN5/c21-18-15-23-20(24-19(18)26-11-3-4-12-26)22-10-7-16-8-13-25(14-9-16)17-5-1-2-6-17/h15-17H,1-14H2,(H,22,23,24).
What are the key properties of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine?
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 361.51 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 134707239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).