1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine

C11H17IN4 — CID 104843511

IUPAC1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2ncc(I)cn2)C1
InChIInChI=1S/C11H17IN4/c1-15(2)10-4-3-5-16(8-10)11-13-6-9(12)7-14-11/h6-7,10H,3-5,8H2,1-2H3
InChIKeyUVUHNQMEALLTMQ-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.61
Rot. Bonds2

About 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine

1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine (PubChem CID 104843511) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine
PubChem CID104843511
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(c2ncc(I)cn2)C1
InChIInChI=1S/C11H17IN4/c1-15(2)10-4-3-5-16(8-10)11-13-6-9(12)7-14-11/h6-7,10H,3-5,8H2,1-2H3
InChIKeyUVUHNQMEALLTMQ-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine (CID 104843511) is 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(c2ncc(I)cn2)C1.
What is the InChIKey of 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is UVUHNQMEALLTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-15(2)10-4-3-5-16(8-10)11-13-6-9(12)7-14-11/h6-7,10H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine?
1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 332.19 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 104843511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).