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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-Difluoro-1,4,5,6-tetrahydro-2-pyrimidinamine
CID 12052723
1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine;hydrobromide
CID 145686107
N-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 153905783
2-Methyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62358422
1-Methyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 62363211
1,2-Dimethyl-1-(3,3,3-trifluoropropyl)guanidine
CID 64245875
2-Ethyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 64246462
1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 90146412
1-(2,2-Difluoroethyl)-1-methyl-2-propylguanidine
CID 115629707
N-(2,2-difluoroethyl)-1-methyl-5,6-dihydro-4H-pyrimidin-2-amine
CID 130870397
N-(3,3,3-trifluoropropyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 130955626
1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine
CID 141100041

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).