acetylene;4-(trifluoromethyl)pyrimidin-2-amine

C7H6F3N3 — CID 142135177

IUPACacetylene;4-(trifluoromethyl)pyrimidin-2-amine
SMILESC#C.Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3.C2H2/c6-5(7,8)3-1-2-10-4(9)11-3;1-2/h1-2H,(H2,9,10,11);1-2H
InChIKeyDGNDPAIXJJGCMU-UHFFFAOYSA-N
MW189.14 g/mol
LogP1.33
Rot. Bonds

About acetylene;4-(trifluoromethyl)pyrimidin-2-amine

acetylene;4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 142135177) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is acetylene;4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Nameacetylene;4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID142135177
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Nameacetylene;4-(trifluoromethyl)pyrimidin-2-amine
SMILESC#C.Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C5H4F3N3.C2H2/c6-5(7,8)3-1-2-10-4(9)11-3;1-2/h1-2H,(H2,9,10,11);1-2H
InChIKeyDGNDPAIXJJGCMU-UHFFFAOYSA-N
XLogP1.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of acetylene;4-(trifluoromethyl)pyrimidin-2-amine (CID 142135177) is acetylene;4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for acetylene;4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for acetylene;4-(trifluoromethyl)pyrimidin-2-amine is C#C.Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of acetylene;4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is DGNDPAIXJJGCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3.C2H2/c6-5(7,8)3-1-2-10-4(9)11-3;1-2/h1-2H,(H2,9,10,11);1-2H.
What are the key properties of acetylene;4-(trifluoromethyl)pyrimidin-2-amine?
acetylene;4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 189.14 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 142135177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).