3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol

C10H16IN3O — CID 104844107

IUPAC3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1ncc(I)cn1
InChIInChI=1S/C10H16IN3O/c1-2-8(3-4-15)5-12-10-13-6-9(11)7-14-10/h6-8,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyWIFQZLRFBLGXBN-UHFFFAOYSA-N
MW321.16 g/mol
LogP1.90
Rot. Bonds6

About 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol

3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol (PubChem CID 104844107) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol
PubChem CID104844107
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1ncc(I)cn1
InChIInChI=1S/C10H16IN3O/c1-2-8(3-4-15)5-12-10-13-6-9(11)7-14-10/h6-8,15H,2-5H2,1H3,(H,12,13,14)
InChIKeyWIFQZLRFBLGXBN-UHFFFAOYSA-N
XLogP1.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 51.90
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 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol (CID 104844107) is 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol is CCC(CCO)CNc1ncc(I)cn1.
What is the InChIKey of 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol?
The InChIKey is WIFQZLRFBLGXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-2-8(3-4-15)5-12-10-13-6-9(11)7-14-10/h6-8,15H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol?
3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol has a molecular weight of 321.16 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-iodopyrimidin-2-yl)amino]methyl]pentan-1-ol is sourced from PubChem (CID 104844107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).