4-(trifluoromethyl)pyrimidin-2-amine

C5H4F3N3 — CID 595915

IUPAC4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)
InChIKeyNKOTXYPTXKUCDL-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.08
Rot. Bonds

About 4-(trifluoromethyl)pyrimidin-2-amine

4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 595915) has the molecular formula C5H4F3N3 and a molecular weight of 163.10 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID595915
Molecular FormulaC5H4F3N3
Molecular Weight163.10 g/mol
Exact Mass163.04
IUPAC Name4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)
InChIKeyNKOTXYPTXKUCDL-UHFFFAOYSA-N
XLogP1.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(trifluoromethyl)pyrimidin-2-amine (CID 595915) is 4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)pyrimidin-2-amine is Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NKOTXYPTXKUCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11).
What are the key properties of 4-(trifluoromethyl)pyrimidin-2-amine?
4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 163.10 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 595915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).