6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride

C5H9ClF3N3 — CID 23026176

IUPAC6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
SMILESCl.NC1=NCCC(C(F)(F)F)N1
InChIInChI=1S/C5H8F3N3.ClH/c6-5(7,8)3-1-2-10-4(9)11-3;/h3H,1-2H2,(H3,9,10,11);1H
InChIKeyMMTBEVIJTGQIQB-UHFFFAOYSA-N
MW203.59 g/mol
LogP0.65
Rot. Bonds

About 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride

6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride (PubChem CID 23026176) has the molecular formula C5H9ClF3N3 and a molecular weight of 203.59 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
PubChem CID23026176
Molecular FormulaC5H9ClF3N3
Molecular Weight203.59 g/mol
Exact Mass203.04
IUPAC Name6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
SMILESCl.NC1=NCCC(C(F)(F)F)N1
InChIInChI=1S/C5H8F3N3.ClH/c6-5(7,8)3-1-2-10-4(9)11-3;/h3H,1-2H2,(H3,9,10,11);1H
InChIKeyMMTBEVIJTGQIQB-UHFFFAOYSA-N
XLogP0.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The IUPAC name of 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride (CID 23026176) is 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The canonical SMILES for 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride is Cl.NC1=NCCC(C(F)(F)F)N1.
What is the InChIKey of 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
The InChIKey is MMTBEVIJTGQIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3.ClH/c6-5(7,8)3-1-2-10-4(9)11-3;/h3H,1-2H2,(H3,9,10,11);1H.
What are the key properties of 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride?
6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride has a molecular weight of 203.59 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 23026176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).