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

C6H7ClF3N3 — CID 91825804

IUPAC[5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C6H6F3N3.ClH/c7-6(8,9)4-2-11-5(1-10)12-3-4;/h2-3H,1,10H2;1H
InChIKeyTZBVAZCBIRPYOJ-UHFFFAOYSA-N
MW213.59 g/mol
LogP1.38
Rot. Bonds1

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

[5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride (PubChem CID 91825804) has the molecular formula C6H7ClF3N3 and a molecular weight of 213.59 g/mol. Its IUPAC name is [5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
PubChem CID91825804
Molecular FormulaC6H7ClF3N3
Molecular Weight213.59 g/mol
Exact Mass213.03
IUPAC Name[5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C6H6F3N3.ClH/c7-6(8,9)4-2-11-5(1-10)12-3-4;/h2-3H,1,10H2;1H
InChIKeyTZBVAZCBIRPYOJ-UHFFFAOYSA-N
XLogP1.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride (CID 91825804) is [5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride is Cl.NCc1ncc(C(F)(F)F)cn1.
What is the InChIKey of [5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride?
The InChIKey is TZBVAZCBIRPYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3.ClH/c7-6(8,9)4-2-11-5(1-10)12-3-4;/h2-3H,1,10H2;1H.
What are the key properties of [5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride?
[5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride has a molecular weight of 213.59 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 91825804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).