N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C8H10BrF3N4 — CID 107494306

IUPACN'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncc(Br)cn1
InChIInChI=1S/C8H10BrF3N4/c9-6-3-14-7(15-4-6)16(2-1-13)5-8(10,11)12/h3-4H,1-2,5,13H2
InChIKeyMYFGKRLWBALMTE-UHFFFAOYSA-N
MW299.09 g/mol
LogP1.57
Rot. Bonds4

About N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494306) has the molecular formula C8H10BrF3N4 and a molecular weight of 299.09 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494306
Molecular FormulaC8H10BrF3N4
Molecular Weight299.09 g/mol
Exact Mass298.00
IUPAC NameN'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncc(Br)cn1
InChIInChI=1S/C8H10BrF3N4/c9-6-3-14-7(15-4-6)16(2-1-13)5-8(10,11)12/h3-4H,1-2,5,13H2
InChIKeyMYFGKRLWBALMTE-UHFFFAOYSA-N
XLogP1.57
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107490318
N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494264
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494336
5-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 63874582
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
N'-(2-aminoethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 116649452
N'-(5-bromopyrimidin-2-yl)-N'-cyclopropylethane-1,2-diamine
CID 63874009
6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide
CID 107494274
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494359
N'-(2-aminoethyl)-N'-(5-bromo-3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 79717838
5-bromo-N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107490631

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494306) is N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)c1ncc(Br)cn1.
What is the InChIKey of N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is MYFGKRLWBALMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF3N4/c9-6-3-14-7(15-4-6)16(2-1-13)5-8(10,11)12/h3-4H,1-2,5,13H2.
What are the key properties of N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 299.09 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).