3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol

C9H14IN3O — CID 104843994

IUPAC3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol
SMILESCCN(CCCO)c1ncc(I)cn1
InChIInChI=1S/C9H14IN3O/c1-2-13(4-3-5-14)9-11-6-8(10)7-12-9/h6-7,14H,2-5H2,1H3
InChIKeyBHDNBRWLKCHCTA-UHFFFAOYSA-N
MW307.13 g/mol
LogP1.29
Rot. Bonds5

About 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol

3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol (PubChem CID 104843994) has the molecular formula C9H14IN3O and a molecular weight of 307.13 g/mol. Its IUPAC name is 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol
PubChem CID104843994
Molecular FormulaC9H14IN3O
Molecular Weight307.13 g/mol
Exact Mass307.02
IUPAC Name3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol
SMILESCCN(CCCO)c1ncc(I)cn1
InChIInChI=1S/C9H14IN3O/c1-2-13(4-3-5-14)9-11-6-8(10)7-12-9/h6-7,14H,2-5H2,1H3
InChIKeyBHDNBRWLKCHCTA-UHFFFAOYSA-N
XLogP1.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[ethyl-(5-iodopyrimidin-2-yl)amino]acetamide
CID 104839933
5-bromo-N-butyl-N-ethylpyrimidin-2-amine
CID 63874564
2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol
CID 104843952
N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine
CID 116648254
N'-(5-bromopyrimidin-2-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102976014
N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116649452
N-butyl-5-iodo-N-methylpyrimidin-2-amine
CID 115620517
5-iodo-N,N-dimethylpyrimidin-2-amine
CID 25148249
5-(bromomethyl)-N-ethyl-N-propylpyrimidin-2-amine
CID 107079952
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997398
3-[ethyl(pyridazin-3-yl)amino]propan-1-ol
CID 115658649
3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol
CID 113468825

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol (CID 104843994) is 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol is CCN(CCCO)c1ncc(I)cn1.
What is the InChIKey of 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol?
The InChIKey is BHDNBRWLKCHCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O/c1-2-13(4-3-5-14)9-11-6-8(10)7-12-9/h6-7,14H,2-5H2,1H3.
What are the key properties of 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol?
3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol has a molecular weight of 307.13 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 104843994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).