[1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol

C11H16IN3O — CID 116648405

IUPAC[1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2ncc(I)cn2)CCCCC1
InChIInChI=1S/C11H16IN3O/c12-9-6-13-10(14-7-9)15-11(8-16)4-2-1-3-5-11/h6-7,16H,1-5,8H2,(H,13,14,15)
InChIKeyFWHZBADNWROUTF-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.19
Rot. Bonds3

About [1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol

[1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol (PubChem CID 116648405) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is [1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol
PubChem CID116648405
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC Name[1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2ncc(I)cn2)CCCCC1
InChIInChI=1S/C11H16IN3O/c12-9-6-13-10(14-7-9)15-11(8-16)4-2-1-3-5-11/h6-7,16H,1-5,8H2,(H,13,14,15)
InChIKeyFWHZBADNWROUTF-UHFFFAOYSA-N
XLogP2.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.19
H-Bond Donors ≤ 52
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)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol (CID 116648405) is [1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol is OCC1(Nc2ncc(I)cn2)CCCCC1.
What is the InChIKey of [1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is FWHZBADNWROUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c12-9-6-13-10(14-7-9)15-11(8-16)4-2-1-3-5-11/h6-7,16H,1-5,8H2,(H,13,14,15).
What are the key properties of [1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol?
[1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 333.17 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-iodopyrimidin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 116648405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).