(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine

C8H12N4 — CID 71643779

IUPAC(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ncccn2)C1
InChIInChI=1S/C8H12N4/c9-7-2-5-12(6-7)8-10-3-1-4-11-8/h1,3-4,7H,2,5-6,9H2/t7-/m1/s1
InChIKeyJHXYAXSRWKFHEG-SSDOTTSWSA-N
MW164.21 g/mol
LogP0.01
Rot. Bonds1

About (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine

(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine (PubChem CID 71643779) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
PubChem CID71643779
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(c2ncccn2)C1
InChIInChI=1S/C8H12N4/c9-7-2-5-12(6-7)8-10-3-1-4-11-8/h1,3-4,7H,2,5-6,9H2/t7-/m1/s1
InChIKeyJHXYAXSRWKFHEG-SSDOTTSWSA-N
XLogP0.01
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine (CID 71643779) is (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine is N[C@@H]1CCN(c2ncccn2)C1.
What is the InChIKey of (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine?
The InChIKey is JHXYAXSRWKFHEG-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N4/c9-7-2-5-12(6-7)8-10-3-1-4-11-8/h1,3-4,7H,2,5-6,9H2/t7-/m1/s1.
What are the key properties of (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine?
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine has a molecular weight of 164.21 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-pyrimidin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 71643779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).