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

C11H17IN4 — CID 116640270

IUPAC[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine
SMILESNCC1CCCCCN1c1ncncc1I
InChIInChI=1S/C11H17IN4/c12-10-7-14-8-15-11(10)16-5-3-1-2-4-9(16)6-13/h7-9H,1-6,13H2
InChIKeySDMWCWYIVGKIPM-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.79
Rot. Bonds2

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

[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine (PubChem CID 116640270) has the molecular formula C11H17IN4 and a molecular weight of 332.19 g/mol. Its IUPAC name is [1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine
PubChem CID116640270
Molecular FormulaC11H17IN4
Molecular Weight332.19 g/mol
Exact Mass332.05
IUPAC Name[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine
SMILESNCC1CCCCCN1c1ncncc1I
InChIInChI=1S/C11H17IN4/c12-10-7-14-8-15-11(10)16-5-3-1-2-4-9(16)6-13/h7-9H,1-6,13H2
InChIKeySDMWCWYIVGKIPM-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(5-iodopyrimidin-4-yl)pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 66319099
1-(5-bromopyrimidin-4-yl)-2-(chloromethyl)azepane
CID 116638846
4-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 79915702
[(2R)-1-pyrimidin-5-ylpyrrolidin-2-yl]methanamine
CID 131071995
[1-(6-methoxy-5-methylpyrimidin-4-yl)azepan-2-yl]methanamine
CID 116640271
4-[2-(aminomethyl)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136977760
[1-(3-chloro-2-pyridinyl)azepan-2-yl]methanamine
CID 116640243
(1-pyridin-4-ylazepan-2-yl)methanamine
CID 116640201
5-iodo-4-(2-phenylpyrrolidin-1-yl)pyrimidine
CID 66339955
N-[[4-(5-iodopyrimidin-4-yl)morpholin-3-yl]methyl]propan-2-amine
CID 83104922
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanamine
CID 62591385

Frequently Asked Questions

What is the IUPAC name of [1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine?
The IUPAC name of [1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine (CID 116640270) is [1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine.
What is the SMILES notation for [1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine?
The canonical SMILES for [1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine is NCC1CCCCCN1c1ncncc1I.
What is the InChIKey of [1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine?
The InChIKey is SDMWCWYIVGKIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4/c12-10-7-14-8-15-11(10)16-5-3-1-2-4-9(16)6-13/h7-9H,1-6,13H2.
What are the key properties of [1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine?
[1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine has a molecular weight of 332.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-iodopyrimidin-4-yl)azepan-2-yl]methanamine is sourced from PubChem (CID 116640270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).