2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C6H4Cl2F3N3 — CID 79631957

IUPAC2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H4Cl2F3N3/c7-3-1-12-5(8)14-4(3)13-2-6(9,10)11/h1H,2H2,(H,12,13,14)
InChIKeyFVZFHCUEBRPKPV-UHFFFAOYSA-N
MW246.02 g/mol
LogP2.76
Rot. Bonds2

About 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 79631957) has the molecular formula C6H4Cl2F3N3 and a molecular weight of 246.02 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID79631957
Molecular FormulaC6H4Cl2F3N3
Molecular Weight246.02 g/mol
Exact Mass244.97
IUPAC Name2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C6H4Cl2F3N3/c7-3-1-12-5(8)14-4(3)13-2-6(9,10)11/h1H,2H2,(H,12,13,14)
InChIKeyFVZFHCUEBRPKPV-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.02
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 79631957) is 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is FC(F)(F)CNc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is FVZFHCUEBRPKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2F3N3/c7-3-1-12-5(8)14-4(3)13-2-6(9,10)11/h1H,2H2,(H,12,13,14).
What are the key properties of 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 246.02 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 79631957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).