4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine

C13H21N5 — CID 59777338

IUPAC4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C13H21N5/c14-10-5-6-18(8-10)12-7-11(16-13(15)17-12)9-3-1-2-4-9/h7,9-10H,1-6,8,14H2,(H2,15,16,17)/t10-/m1/s1
InChIKeyIOYMEVXWUXSZAX-SNVBAGLBSA-N
MW247.35 g/mol
LogP1.25
Rot. Bonds2

About 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine

4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine (PubChem CID 59777338) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
PubChem CID59777338
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
SMILESNc1nc(C2CCCC2)cc(N2CC[C@@H](N)C2)n1
InChIInChI=1S/C13H21N5/c14-10-5-6-18(8-10)12-7-11(16-13(15)17-12)9-3-1-2-4-9/h7,9-10H,1-6,8,14H2,(H2,15,16,17)/t10-/m1/s1
InChIKeyIOYMEVXWUXSZAX-SNVBAGLBSA-N
XLogP1.25
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine (CID 59777338) is 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine is Nc1nc(C2CCCC2)cc(N2CC[C@@H](N)C2)n1.
What is the InChIKey of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine?
The InChIKey is IOYMEVXWUXSZAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5/c14-10-5-6-18(8-10)12-7-11(16-13(15)17-12)9-3-1-2-4-9/h7,9-10H,1-6,8,14H2,(H2,15,16,17)/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine?
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine has a molecular weight of 247.35 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 59777338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).