6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C6H5ClF3N3 — CID 61278965

IUPAC6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CNc1cc(Cl)ncn1
InChIInChI=1S/C6H5ClF3N3/c7-4-1-5(13-3-12-4)11-2-6(8,9)10/h1,3H,2H2,(H,11,12,13)
InChIKeyAFJWHMUIRIKVHZ-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.10
Rot. Bonds2

About 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 61278965) has the molecular formula C6H5ClF3N3 and a molecular weight of 211.57 g/mol. Its IUPAC name is 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID61278965
Molecular FormulaC6H5ClF3N3
Molecular Weight211.57 g/mol
Exact Mass211.01
IUPAC Name6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESFC(F)(F)CNc1cc(Cl)ncn1
InChIInChI=1S/C6H5ClF3N3/c7-4-1-5(13-3-12-4)11-2-6(8,9)10/h1,3H,2H2,(H,11,12,13)
InChIKeyAFJWHMUIRIKVHZ-UHFFFAOYSA-N
XLogP2.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 61278965) is 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is FC(F)(F)CNc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is AFJWHMUIRIKVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3N3/c7-4-1-5(13-3-12-4)11-2-6(8,9)10/h1,3H,2H2,(H,11,12,13).
What are the key properties of 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 211.57 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 61278965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).