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

C7H9F3N4 — CID 2777800

IUPACN'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4/c8-7(9,10)5-1-3-12-6(14-5)13-4-2-11/h1,3H,2,4,11H2,(H,12,13,14)
InChIKeyJNFLDBVTZRCMGV-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.87
Rot. Bonds3

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

N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 2777800) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID2777800
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC NameN'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N4/c8-7(9,10)5-1-3-12-6(14-5)13-4-2-11/h1,3H,2,4,11H2,(H,12,13,14)
InChIKeyJNFLDBVTZRCMGV-UHFFFAOYSA-N
XLogP0.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.87
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?
The IUPAC name of N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine (CID 2777800) is N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine is NCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is JNFLDBVTZRCMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c8-7(9,10)5-1-3-12-6(14-5)13-4-2-11/h1,3H,2,4,11H2,(H,12,13,14).
What are the key properties of N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 206.17 g/mol, XLogP of 0.87, 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 is sourced from PubChem (CID 2777800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).