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

C9H12IN3O — CID 104844168

IUPAC[1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol
SMILESOCC1(Nc2ncc(I)cn2)CCC1
InChIInChI=1S/C9H12IN3O/c10-7-4-11-8(12-5-7)13-9(6-14)2-1-3-9/h4-5,14H,1-3,6H2,(H,11,12,13)
InChIKeySFFOMJVQUGPLTI-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.41
Rot. Bonds3

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

[1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol (PubChem CID 104844168) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is [1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol
PubChem CID104844168
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name[1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol
SMILESOCC1(Nc2ncc(I)cn2)CCC1
InChIInChI=1S/C9H12IN3O/c10-7-4-11-8(12-5-7)13-9(6-14)2-1-3-9/h4-5,14H,1-3,6H2,(H,11,12,13)
InChIKeySFFOMJVQUGPLTI-UHFFFAOYSA-N
XLogP1.41
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.41
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]cyclobutyl]methanol?
The IUPAC name of [1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol (CID 104844168) is [1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol is OCC1(Nc2ncc(I)cn2)CCC1.
What is the InChIKey of [1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol?
The InChIKey is SFFOMJVQUGPLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c10-7-4-11-8(12-5-7)13-9(6-14)2-1-3-9/h4-5,14H,1-3,6H2,(H,11,12,13).
What are the key properties of [1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol?
[1-[(5-iodopyrimidin-2-yl)amino]cyclobutyl]methanol has a molecular weight of 305.12 g/mol, XLogP of 1.41, 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]cyclobutyl]methanol is sourced from PubChem (CID 104844168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).