[2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride

C11H8ClF6N5 — CID 122514953

IUPAC[2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F6N5.ClH/c12-10(13,14)8-19-3-5(4-20-8)7-1-6(2-18)21-9(22-7)11(15,16)17;/h1,3-4H,2,18H2;1H
InChIKeyZFTZILULCKYVII-UHFFFAOYSA-N
MW359.66 g/mol
LogP2.85
Rot. Bonds2

About [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride

[2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride (PubChem CID 122514953) has the molecular formula C11H8ClF6N5 and a molecular weight of 359.66 g/mol. Its IUPAC name is [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride
PubChem CID122514953
Molecular FormulaC11H8ClF6N5
Molecular Weight359.66 g/mol
Exact Mass359.04
IUPAC Name[2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F6N5.ClH/c12-10(13,14)8-19-3-5(4-20-8)7-1-6(2-18)21-9(22-7)11(15,16)17;/h1,3-4H,2,18H2;1H
InChIKeyZFTZILULCKYVII-UHFFFAOYSA-N
XLogP2.85
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.66
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride (CID 122514953) is [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride is Cl.NCc1cc(-c2cnc(C(F)(F)F)nc2)nc(C(F)(F)F)n1.
What is the InChIKey of [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride?
The InChIKey is ZFTZILULCKYVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N5.ClH/c12-10(13,14)8-19-3-5(4-20-8)7-1-6(2-18)21-9(22-7)11(15,16)17;/h1,3-4H,2,18H2;1H.
What are the key properties of [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride?
[2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride has a molecular weight of 359.66 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 122514953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).