2-chloro-6-(trifluoromethyl)pyrimidin-4-amine

C5H3ClF3N3 — CID 13086908

IUPAC2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C5H3ClF3N3/c6-4-11-2(5(7,8)9)1-3(10)12-4/h1H,(H2,10,11,12)
InChIKeyXPOXHSQGNDLFPT-UHFFFAOYSA-N
MW197.55 g/mol
LogP1.73
Rot. Bonds

About 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine

2-chloro-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 13086908) has the molecular formula C5H3ClF3N3 and a molecular weight of 197.55 g/mol. Its IUPAC name is 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID13086908
Molecular FormulaC5H3ClF3N3
Molecular Weight197.55 g/mol
Exact Mass197.00
IUPAC Name2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C5H3ClF3N3/c6-4-11-2(5(7,8)9)1-3(10)12-4/h1H,(H2,10,11,12)
InChIKeyXPOXHSQGNDLFPT-UHFFFAOYSA-N
XLogP1.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine (CID 13086908) is 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XPOXHSQGNDLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3N3/c6-4-11-2(5(7,8)9)1-3(10)12-4/h1H,(H2,10,11,12).
What are the key properties of 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine?
2-chloro-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 197.55 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 13086908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).