[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine

C11H17IN4 — CID 114961839

IUPAC[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(c2ncc(I)cn2)CC1CN
InChIInChI=1S/C11H17IN4/c1-8-2-3-16(7-9(8)4-13)11-14-5-10(12)6-15-11/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyAYWAVKHGUNWGDS-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.50
Rot. Bonds2

About [1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine

[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine (PubChem CID 114961839) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is [1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
PubChem CID114961839
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(c2ncc(I)cn2)CC1CN
InChIInChI=1S/C11H17IN4/c1-8-2-3-16(7-9(8)4-13)11-14-5-10(12)6-15-11/h5-6,8-9H,2-4,7,13H2,1H3
InChIKeyAYWAVKHGUNWGDS-UHFFFAOYSA-N
XLogP1.50
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.50
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-yl]methanamine?
The IUPAC name of [1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine (CID 114961839) is [1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine is CC1CCN(c2ncc(I)cn2)CC1CN.
What is the InChIKey of [1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine?
The InChIKey is AYWAVKHGUNWGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c1-8-2-3-16(7-9(8)4-13)11-14-5-10(12)6-15-11/h5-6,8-9H,2-4,7,13H2,1H3.
What are the key properties of [1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine?
[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine has a molecular weight of 332.19 g/mol, XLogP of 1.50, 2 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-yl]methanamine is sourced from PubChem (CID 114961839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).