2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol

C9H12IN3O — CID 104843952

IUPAC2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1ncc(I)cn1
InChIInChI=1S/C9H12IN3O/c1-2-3-13(4-5-14)9-11-6-8(10)7-12-9/h2,6-7,14H,1,3-5H2
InChIKeyGOSFZXGXWDACCQ-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.07
Rot. Bonds5

About 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol

2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol (PubChem CID 104843952) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol.

Molecular Properties

Compound Name2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol
PubChem CID104843952
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol
SMILESC=CCN(CCO)c1ncc(I)cn1
InChIInChI=1S/C9H12IN3O/c1-2-3-13(4-5-14)9-11-6-8(10)7-12-9/h2,6-7,14H,1,3-5H2
InChIKeyGOSFZXGXWDACCQ-UHFFFAOYSA-N
XLogP1.07
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol
CID 104843994
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
2-[(5-bromopyrimidin-4-yl)-prop-2-enylamino]ethanol
CID 115715080
5-[2-hydroxyethyl(prop-2-enyl)amino]pyridine-2-carbonitrile
CID 115744697
N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116649452
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
CID 104869570
2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol
CID 61234744
2-[cyclopropylmethyl-(5-methylpyrimidin-2-yl)amino]ethanol
CID 133403271
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 104869537
(E)-3-[2-[2-methoxyethyl(prop-2-enyl)amino]pyrimidin-5-yl]prop-2-enoic acid
CID 103339644
2-[(3-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 106876373

Frequently Asked Questions

What is the IUPAC name of 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol?
The IUPAC name of 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol (CID 104843952) is 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol.
What is the SMILES notation for 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol?
The canonical SMILES for 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol is C=CCN(CCO)c1ncc(I)cn1.
What is the InChIKey of 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol?
The InChIKey is GOSFZXGXWDACCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-2-3-13(4-5-14)9-11-6-8(10)7-12-9/h2,6-7,14H,1,3-5H2.
What are the key properties of 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol?
2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol has a molecular weight of 305.12 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol is sourced from PubChem (CID 104843952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).