1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine

C13H20IN5 — CID 80553204

IUPAC1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ncncc3I)C2)CC1
InChIInChI=1S/C13H20IN5/c14-12-7-16-9-17-13(12)19-6-3-11(8-19)18-4-1-10(15)2-5-18/h7,9-11H,1-6,8,15H2
InChIKeyQSUXXQQQVOYFCJ-UHFFFAOYSA-N
MW373.24 g/mol
LogP1.08
Rot. Bonds2

About 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80553204) has the molecular formula C13H20IN5 and a molecular weight of 373.24 g/mol. Its IUPAC name is 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80553204
Molecular FormulaC13H20IN5
Molecular Weight373.24 g/mol
Exact Mass373.08
IUPAC Name1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESNC1CCN(C2CCN(c3ncncc3I)C2)CC1
InChIInChI=1S/C13H20IN5/c14-12-7-16-9-17-13(12)19-6-3-11(8-19)18-4-1-10(15)2-5-18/h7,9-11H,1-6,8,15H2
InChIKeyQSUXXQQQVOYFCJ-UHFFFAOYSA-N
XLogP1.08
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine (CID 80553204) is 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine is NC1CCN(C2CCN(c3ncncc3I)C2)CC1.
What is the InChIKey of 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is QSUXXQQQVOYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20IN5/c14-12-7-16-9-17-13(12)19-6-3-11(8-19)18-4-1-10(15)2-5-18/h7,9-11H,1-6,8,15H2.
What are the key properties of 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 373.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-iodopyrimidin-4-yl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80553204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).