1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine

C10H15IN4 — CID 116648605

IUPAC1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2ncc(I)cn2)CC1N
InChIInChI=1S/C10H15IN4/c1-7-2-3-15(6-9(7)12)10-13-4-8(11)5-14-10/h4-5,7,9H,2-3,6,12H2,1H3
InChIKeyUNGIMXVKKWOGDP-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.25
Rot. Bonds1

About 1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine

1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine (PubChem CID 116648605) has the molecular formula C10H15IN4 and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine
PubChem CID116648605
Molecular FormulaC10H15IN4
Molecular Weight318.16 g/mol
Exact Mass318.03
IUPAC Name1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2ncc(I)cn2)CC1N
InChIInChI=1S/C10H15IN4/c1-7-2-3-15(6-9(7)12)10-13-4-8(11)5-14-10/h4-5,7,9H,2-3,6,12H2,1H3
InChIKeyUNGIMXVKKWOGDP-UHFFFAOYSA-N
XLogP1.25
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
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)-4-methylpiperidin-3-amine?
The IUPAC name of 1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine (CID 116648605) is 1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine?
The canonical SMILES for 1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine is CC1CCN(c2ncc(I)cn2)CC1N.
What is the InChIKey of 1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine?
The InChIKey is UNGIMXVKKWOGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN4/c1-7-2-3-15(6-9(7)12)10-13-4-8(11)5-14-10/h4-5,7,9H,2-3,6,12H2,1H3.
What are the key properties of 1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine?
1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine has a molecular weight of 318.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine is sourced from PubChem (CID 116648605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).