N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine

C8H14IN5 — CID 116649452

IUPACN'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
SMILESNCCN(CCN)c1ncc(I)cn1
InChIInChI=1S/C8H14IN5/c9-7-5-12-8(13-6-7)14(3-1-10)4-2-11/h5-6H,1-4,10-11H2
InChIKeyHNQNXVBEWNZZJU-UHFFFAOYSA-N
MW307.14 g/mol
LogP-0.19
Rot. Bonds5

About N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine

N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 116649452) has the molecular formula C8H14IN5 and a molecular weight of 307.14 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
PubChem CID116649452
Molecular FormulaC8H14IN5
Molecular Weight307.14 g/mol
Exact Mass307.03
IUPAC NameN'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
SMILESNCCN(CCN)c1ncc(I)cn1
InChIInChI=1S/C8H14IN5/c9-7-5-12-8(13-6-7)14(3-1-10)4-2-11/h5-6H,1-4,10-11H2
InChIKeyHNQNXVBEWNZZJU-UHFFFAOYSA-N
XLogP-0.19
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 107494092
N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine
CID 116648254
N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494264
3-[ethyl-(5-iodopyrimidin-2-yl)amino]propan-1-ol
CID 104843994
N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
CID 116648233
2-[(5-iodopyrimidin-2-yl)-prop-2-enylamino]ethanol
CID 104843952
N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494306
5-iodo-N,N-dimethylpyrimidin-2-amine
CID 25148249
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494336
N-butyl-5-iodo-N-methylpyrimidin-2-amine
CID 115620517
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
5-iodo-N-(2-methoxyethyl)-N-methylpyrimidin-2-amine
CID 104840254

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine (CID 116649452) is N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine is NCCN(CCN)c1ncc(I)cn1.
What is the InChIKey of N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is HNQNXVBEWNZZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN5/c9-7-5-12-8(13-6-7)14(3-1-10)4-2-11/h5-6H,1-4,10-11H2.
What are the key properties of N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine?
N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 307.14 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 116649452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).