[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol

C10H14IN3O — CID 106361969

IUPAC[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESOCC1CCCC1Nc1ncncc1I
InChIInChI=1S/C10H14IN3O/c11-8-4-12-6-13-10(8)14-9-3-1-2-7(9)5-15/h4,6-7,9,15H,1-3,5H2,(H,12,13,14)
InChIKeyZRJKFYOTXMDEKZ-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.65
Rot. Bonds3

About [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol

[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol (PubChem CID 106361969) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol
PubChem CID106361969
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol
SMILESOCC1CCCC1Nc1ncncc1I
InChIInChI=1S/C10H14IN3O/c11-8-4-12-6-13-10(8)14-9-3-1-2-7(9)5-15/h4,6-7,9,15H,1-3,5H2,(H,12,13,14)
InChIKeyZRJKFYOTXMDEKZ-UHFFFAOYSA-N
XLogP1.65
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66343239
[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368118
[2-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368007
N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine
CID 66318483
N-[2-(aminomethyl)cyclopentyl]-5-chloropyrimidin-4-amine
CID 105370016
[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114178800
N-(cyclobutylmethyl)-5-iodopyrimidin-4-amine
CID 65418018
5-iodo-N-(3-methylcyclohexyl)pyrimidin-4-amine
CID 65417799
4-chloro-6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrimidine-5-carbaldehyde
CID 114179129
[2-[(6-amino-5-bromopyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114179877
3-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazin-2-one
CID 103703713
5-iodo-N-(2-methylthiolan-3-yl)pyrimidin-4-amine
CID 130655835

Frequently Asked Questions

What is the IUPAC name of [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol (CID 106361969) is [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol is OCC1CCCC1Nc1ncncc1I.
What is the InChIKey of [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol?
The InChIKey is ZRJKFYOTXMDEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c11-8-4-12-6-13-10(8)14-9-3-1-2-7(9)5-15/h4,6-7,9,15H,1-3,5H2,(H,12,13,14).
What are the key properties of [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol?
[2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol has a molecular weight of 319.15 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-iodopyrimidin-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 106361969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).