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

C5H8F3N3 — CID 141100041

IUPAC1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESNC1=NCCCN1C(F)(F)F
InChIInChI=1S/C5H8F3N3/c6-5(7,8)11-3-1-2-10-4(11)9/h1-3H2,(H2,9,10)
InChIKeyXFLJKZXXNAQHQJ-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.53
Rot. Bonds

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

1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 141100041) has the molecular formula C5H8F3N3 and a molecular weight of 167.13 g/mol. Its IUPAC name is 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID141100041
Molecular FormulaC5H8F3N3
Molecular Weight167.13 g/mol
Exact Mass167.07
IUPAC Name1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESNC1=NCCCN1C(F)(F)F
InChIInChI=1S/C5H8F3N3/c6-5(7,8)11-3-1-2-10-4(11)9/h1-3H2,(H2,9,10)
InChIKeyXFLJKZXXNAQHQJ-UHFFFAOYSA-N
XLogP0.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.53
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?
The IUPAC name of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine (CID 141100041) is 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine is NC1=NCCCN1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is XFLJKZXXNAQHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3/c6-5(7,8)11-3-1-2-10-4(11)9/h1-3H2,(H2,9,10).
What are the key properties of 1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine?
1-(trifluoromethyl)-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 167.13 g/mol, XLogP of 0.53, 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 is sourced from PubChem (CID 141100041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).