N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine

C13H21IN4 — CID 66340622

IUPACN-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(c2ncncc2I)C1
InChIInChI=1S/C13H21IN4/c1-10(2)16-6-11-4-3-5-18(8-11)13-12(14)7-15-9-17-13/h7,9-11,16H,3-6,8H2,1-2H3
InChIKeyFROWGZBGZHKLOR-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.30
Rot. Bonds4

About N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 66340622) has the molecular formula C13H21IN4 and a molecular weight of 360.24 g/mol. Its IUPAC name is N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID66340622
Molecular FormulaC13H21IN4
Molecular Weight360.24 g/mol
Exact Mass360.08
IUPAC NameN-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN(c2ncncc2I)C1
InChIInChI=1S/C13H21IN4/c1-10(2)16-6-11-4-3-5-18(8-11)13-12(14)7-15-9-17-13/h7,9-11,16H,3-6,8H2,1-2H3
InChIKeyFROWGZBGZHKLOR-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.30
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 N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine (CID 66340622) is N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCCN(c2ncncc2I)C1.
What is the InChIKey of N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is FROWGZBGZHKLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21IN4/c1-10(2)16-6-11-4-3-5-18(8-11)13-12(14)7-15-9-17-13/h7,9-11,16H,3-6,8H2,1-2H3.
What are the key properties of N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 360.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-iodopyrimidin-4-yl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66340622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).