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

C8H11F2IN4 — CID 107494092

IUPACN'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1ncc(I)cn1
InChIInChI=1S/C8H11F2IN4/c9-7(10)5-15(2-1-12)8-13-3-6(11)4-14-8/h3-4,7H,1-2,5,12H2
InChIKeyOCHMNFUFINFRPG-UHFFFAOYSA-N
MW328.10 g/mol
LogP1.11
Rot. Bonds5

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

N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 107494092) has the molecular formula C8H11F2IN4 and a molecular weight of 328.10 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
PubChem CID107494092
Molecular FormulaC8H11F2IN4
Molecular Weight328.10 g/mol
Exact Mass328.00
IUPAC NameN'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)c1ncc(I)cn1
InChIInChI=1S/C8H11F2IN4/c9-7(10)5-15(2-1-12)8-13-3-6(11)4-14-8/h3-4,7H,1-2,5,12H2
InChIKeyOCHMNFUFINFRPG-UHFFFAOYSA-N
XLogP1.11
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 51.11
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'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116649452
N'-(2,2-difluoroethyl)-N'-(4-methoxypyrimidin-2-yl)ethane-1,2-diamine
CID 107493964
2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107484163
N'-ethyl-N'-(5-iodopyrimidin-2-yl)-2-methylpropane-1,3-diamine
CID 116648254
N'-(7-bromo-1,5-naphthyridin-4-yl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494004
N'-(3-bromo-2-pyridinyl)-N'-(2,2-difluoroethyl)ethane-1,2-diamine
CID 107494126
N'-(2,2-difluoroethyl)-N'-(2-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 107493991
N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494264
N'-(2,2-difluoroethyl)-N'-(2-methoxy-4-pyridinyl)ethane-1,2-diamine
CID 107494035
N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494306
2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine (CID 107494092) is N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine is NCCN(CC(F)F)c1ncc(I)cn1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is OCHMNFUFINFRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2IN4/c9-7(10)5-15(2-1-12)8-13-3-6(11)4-14-8/h3-4,7H,1-2,5,12H2.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 328.10 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 107494092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).