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

C8H13N5 — CID 90103653

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CC[C@H](N)C2)n1
InChIInChI=1S/C8H13N5/c9-6-2-4-13(5-6)8-11-3-1-7(10)12-8/h1,3,6H,2,4-5,9H2,(H2,10,11,12)/t6-/m0/s1
InChIKeyJUSAFARUGNAJET-LURJTMIESA-N
MW179.23 g/mol
LogP-0.40
Rot. Bonds1

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

2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 90103653) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID90103653
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
SMILESNc1ccnc(N2CC[C@H](N)C2)n1
InChIInChI=1S/C8H13N5/c9-6-2-4-13(5-6)8-11-3-1-7(10)12-8/h1,3,6H,2,4-5,9H2,(H2,10,11,12)/t6-/m0/s1
InChIKeyJUSAFARUGNAJET-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
(3R)-1-(4-chloropyrimidin-2-yl)pyrrolidin-3-amine
CID 71643772
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
CID 116797068
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 72909986
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
CID 166546943
CID 166546943
2-[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]ethanol
CID 107229189
4-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-2-amine
CID 59631602

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine (CID 90103653) is 2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine is Nc1ccnc(N2CC[C@H](N)C2)n1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is JUSAFARUGNAJET-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N5/c9-6-2-4-13(5-6)8-11-3-1-7(10)12-8/h1,3,6H,2,4-5,9H2,(H2,10,11,12)/t6-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine?
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-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 2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 90103653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).