1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride

C5H9ClF3N3 — CID 141100040

IUPAC1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride
SMILESCl.NC1=NCCCN1C(F)(F)F
InChIInChI=1S/C5H8F3N3.ClH/c6-5(7,8)11-3-1-2-10-4(11)9;/h1-3H2,(H2,9,10);1H
InChIKeyQORCMJMTQGCSRW-UHFFFAOYSA-N
MW203.59 g/mol
LogP0.95
Rot. Bonds

About 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride

1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride (PubChem CID 141100040) has the molecular formula C5H9ClF3N3 and a molecular weight of 203.59 g/mol. Its IUPAC name is 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride
PubChem CID141100040
Molecular FormulaC5H9ClF3N3
Molecular Weight203.59 g/mol
Exact Mass203.04
IUPAC Name1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride
SMILESCl.NC1=NCCCN1C(F)(F)F
InChIInChI=1S/C5H8F3N3.ClH/c6-5(7,8)11-3-1-2-10-4(11)9;/h1-3H2,(H2,9,10);1H
InChIKeyQORCMJMTQGCSRW-UHFFFAOYSA-N
XLogP0.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.59
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride?
The IUPAC name of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride (CID 141100040) is 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride is Cl.NC1=NCCCN1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride?
The InChIKey is QORCMJMTQGCSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3.ClH/c6-5(7,8)11-3-1-2-10-4(11)9;/h1-3H2,(H2,9,10);1H.
What are the key properties of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride?
1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride has a molecular weight of 203.59 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 141100040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).