3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine

C8H13IN4 — CID 116649653

IUPAC3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine
SMILESCC(CCN)Nc1ncc(I)cn1
InChIInChI=1S/C8H13IN4/c1-6(2-3-10)13-8-11-4-7(9)5-12-8/h4-6H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyGSQLUPQLLDXQLR-UHFFFAOYSA-N
MW292.12 g/mol
LogP1.23
Rot. Bonds4

About 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine

3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine (PubChem CID 116649653) has the molecular formula C8H13IN4 and a molecular weight of 292.12 g/mol. Its IUPAC name is 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine
PubChem CID116649653
Molecular FormulaC8H13IN4
Molecular Weight292.12 g/mol
Exact Mass292.02
IUPAC Name3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine
SMILESCC(CCN)Nc1ncc(I)cn1
InChIInChI=1S/C8H13IN4/c1-6(2-3-10)13-8-11-4-7(9)5-12-8/h4-6H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyGSQLUPQLLDXQLR-UHFFFAOYSA-N
XLogP1.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine 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

5-iodo-N-pentan-2-ylpyrimidin-2-amine
CID 104840001
N-butan-2-yl-5-iodopyrimidin-2-amine
CID 104839757
3-N-[5-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butane-1,3-diamine
CID 116974501
N-(3,3-difluorobutan-2-yl)-5-iodopyrimidin-2-amine
CID 127006742
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
N-(1-chloro-4,4-dimethylpentan-3-yl)-5-iodopyrimidin-2-amine
CID 106354463
N-(4-bromo-3-methylbutan-2-yl)-5-iodopyrimidin-2-amine
CID 116649597
N-[1-(4-aminophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648717
(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
CID 130617035
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
CID 83180583
N-(1-chlorobutan-2-yl)-5-iodopyrimidin-2-amine
CID 116649507

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine?
The IUPAC name of 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine (CID 116649653) is 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine is CC(CCN)Nc1ncc(I)cn1.
What is the InChIKey of 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine?
The InChIKey is GSQLUPQLLDXQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13IN4/c1-6(2-3-10)13-8-11-4-7(9)5-12-8/h4-6H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine?
3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine has a molecular weight of 292.12 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-iodopyrimidin-2-yl)butane-1,3-diamine is sourced from PubChem (CID 116649653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).