(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol

C8H12N4O — CID 89174477

IUPAC(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol
SMILESNc1ncc(N2CC[C@H](O)C2)cn1
InChIInChI=1S/C8H12N4O/c9-8-10-3-6(4-11-8)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2,(H2,9,10,11)/t7-/m0/s1
InChIKeyUYJFSEFPBHRLNH-ZETCQYMHSA-N
MW180.21 g/mol
LogP-0.37
Rot. Bonds1

About (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol

(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol (PubChem CID 89174477) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol
PubChem CID89174477
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol
SMILESNc1ncc(N2CC[C@H](O)C2)cn1
InChIInChI=1S/C8H12N4O/c9-8-10-3-6(4-11-8)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2,(H2,9,10,11)/t7-/m0/s1
InChIKeyUYJFSEFPBHRLNH-ZETCQYMHSA-N
XLogP-0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol (CID 89174477) is (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol is Nc1ncc(N2CC[C@H](O)C2)cn1.
What is the InChIKey of (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol?
The InChIKey is UYJFSEFPBHRLNH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N4O/c9-8-10-3-6(4-11-8)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2,(H2,9,10,11)/t7-/m0/s1.
What are the key properties of (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol?
(3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol has a molecular weight of 180.21 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-aminopyrimidin-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 89174477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).