molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine

C5H6F3N3 — CID 153387486

IUPACmolecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)cn1.[H][H]
InChIInChI=1S/C5H4F3N3.H2/c6-5(7,8)3-1-10-4(9)11-2-3;/h1-2H,(H2,9,10,11);1H
InChIKeyCTYHHAQXEOSICQ-UHFFFAOYSA-N
MW165.12 g/mol
LogP1.32
Rot. Bonds

About molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine

molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 153387486) has the molecular formula C5H6F3N3 and a molecular weight of 165.12 g/mol. Its IUPAC name is molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID153387486
Molecular FormulaC5H6F3N3
Molecular Weight165.12 g/mol
Exact Mass165.05
IUPAC Namemolecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(C(F)(F)F)cn1.[H][H]
InChIInChI=1S/C5H4F3N3.H2/c6-5(7,8)3-1-10-4(9)11-2-3;/h1-2H,(H2,9,10,11);1H
InChIKeyCTYHHAQXEOSICQ-UHFFFAOYSA-N
XLogP1.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.12
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine (CID 153387486) is molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(C(F)(F)F)cn1.[H][H].
What is the InChIKey of molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CTYHHAQXEOSICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3.H2/c6-5(7,8)3-1-10-4(9)11-2-3;/h1-2H,(H2,9,10,11);1H.
What are the key properties of molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine?
molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 165.12 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 153387486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).