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

C5H7ClF3N3 — CID 90146412

IUPAC1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESNC1=NCCC(C(F)(F)F)N1Cl
InChIInChI=1S/C5H7ClF3N3/c6-12-3(5(7,8)9)1-2-11-4(12)10/h3H,1-2H2,(H2,10,11)
InChIKeyQOBSAOJMUBKKBA-UHFFFAOYSA-N
MW201.58 g/mol
LogP1.09
Rot. Bonds

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

1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 90146412) has the molecular formula C5H7ClF3N3 and a molecular weight of 201.58 g/mol. Its IUPAC name is 1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID90146412
Molecular FormulaC5H7ClF3N3
Molecular Weight201.58 g/mol
Exact Mass201.03
IUPAC Name1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESNC1=NCCC(C(F)(F)F)N1Cl
InChIInChI=1S/C5H7ClF3N3/c6-12-3(5(7,8)9)1-2-11-4(12)10/h3H,1-2H2,(H2,10,11)
InChIKeyQOBSAOJMUBKKBA-UHFFFAOYSA-N
XLogP1.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.58
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine (CID 90146412) is 1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine is NC1=NCCC(C(F)(F)F)N1Cl.
What is the InChIKey of 1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is QOBSAOJMUBKKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF3N3/c6-12-3(5(7,8)9)1-2-11-4(12)10/h3H,1-2H2,(H2,10,11).
What are the key properties of 1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 201.58 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 90146412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).