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

C8H11F3N4 — CID 107494336

IUPACN'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncccn1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)6-15(5-2-12)7-13-3-1-4-14-7/h1,3-4H,2,5-6,12H2
InChIKeyJDPSUFHTDYEEEP-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.80
Rot. Bonds4

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

N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494336) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494336
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC NameN'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)(F)F)c1ncccn1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)6-15(5-2-12)7-13-3-1-4-14-7/h1,3-4H,2,5-6,12H2
InChIKeyJDPSUFHTDYEEEP-UHFFFAOYSA-N
XLogP0.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-fluoropyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494264
N'-(5-bromopyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494306
N'-(3-methylsulfonyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494189
N'-furo[3,2-c]pyridin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494224
N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494340
N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494359
5-bromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 107490318
N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494250
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494164
6-[2-aminoethyl(2,2,2-trifluoroethyl)amino]pyridine-3-sulfonamide
CID 107494274
N'-thieno[3,2-d]pyrimidin-4-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494341
N'-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494235

Frequently Asked Questions

What is the IUPAC name of N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494336) is N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is NCCN(CC(F)(F)F)c1ncccn1.
What is the InChIKey of N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is JDPSUFHTDYEEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)6-15(5-2-12)7-13-3-1-4-14-7/h1,3-4H,2,5-6,12H2.
What are the key properties of N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 220.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyrimidin-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).