N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride

C7H10ClF3N4 — CID 83813763

IUPACN'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4.ClH/c8-7(9,10)5-1-3-12-6(14-5)13-4-2-11;/h1,3H,2,4,11H2,(H,12,13,14);1H
InChIKeyLVISEMKVMZMRAW-UHFFFAOYSA-N
MW242.63 g/mol
LogP1.29
Rot. Bonds3

About N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride

N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride (PubChem CID 83813763) has the molecular formula C7H10ClF3N4 and a molecular weight of 242.63 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride
PubChem CID83813763
Molecular FormulaC7H10ClF3N4
Molecular Weight242.63 g/mol
Exact Mass242.05
IUPAC NameN'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4.ClH/c8-7(9,10)5-1-3-12-6(14-5)13-4-2-11;/h1,3H,2,4,11H2,(H,12,13,14);1H
InChIKeyLVISEMKVMZMRAW-UHFFFAOYSA-N
XLogP1.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride (CID 83813763) is N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride is Cl.NCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride?
The InChIKey is LVISEMKVMZMRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4.ClH/c8-7(9,10)5-1-3-12-6(14-5)13-4-2-11;/h1,3H,2,4,11H2,(H,12,13,14);1H.
What are the key properties of N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride?
N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride has a molecular weight of 242.63 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 83813763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).