4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine

C8H13N5 — CID 59631602

IUPAC4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CC[C@H](N)C2)n1
InChIInChI=1S/C8H13N5/c9-6-2-4-13(5-6)7-1-3-11-8(10)12-7/h1,3,6H,2,4-5,9H2,(H2,10,11,12)/t6-/m0/s1
InChIKeyZIKWAUKIYPBDJB-LURJTMIESA-N
MW179.23 g/mol
LogP-0.40
Rot. Bonds1

About 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine

4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine (PubChem CID 59631602) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
PubChem CID59631602
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CC[C@H](N)C2)n1
InChIInChI=1S/C8H13N5/c9-6-2-4-13(5-6)7-1-3-11-8(10)12-7/h1,3,6H,2,4-5,9H2,(H2,10,11,12)/t6-/m0/s1
InChIKeyZIKWAUKIYPBDJB-LURJTMIESA-N
XLogP-0.40
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine (CID 59631602) is 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine is Nc1nccc(N2CC[C@H](N)C2)n1.
What is the InChIKey of 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine?
The InChIKey is ZIKWAUKIYPBDJB-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N5/c9-6-2-4-13(5-6)7-1-3-11-8(10)12-7/h1,3,6H,2,4-5,9H2,(H2,10,11,12)/t6-/m0/s1.
What are the key properties of 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine?
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine has a molecular weight of 179.23 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 59631602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).