6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine

C5H6F3N3 — CID 175759367

IUPAC6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine
SMILESNC1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2,4,11H,9H2
InChIKeyGDMKLVLNMRLGPM-UHFFFAOYSA-N
MW165.12 g/mol
LogP0.35
Rot. Bonds

About 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine

6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine (PubChem CID 175759367) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine
PubChem CID175759367
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Name6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine
SMILESNC1N=CC=C(C(F)(F)F)N1
InChIInChI=1S/C5H6F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2,4,11H,9H2
InChIKeyGDMKLVLNMRLGPM-UHFFFAOYSA-N
XLogP0.35
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine?
The IUPAC name of 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine (CID 175759367) is 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine.
What is the SMILES notation for 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine?
The canonical SMILES for 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine is NC1N=CC=C(C(F)(F)F)N1.
What is the InChIKey of 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine?
The InChIKey is GDMKLVLNMRLGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2,4,11H,9H2.
What are the key properties of 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine?
6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine has a molecular weight of 165.12 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,2-dihydropyrimidin-2-amine is sourced from PubChem (CID 175759367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).