6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C8H9ClF3N3 — CID 63727896

IUPAC6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCC(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-2-5-6(9)14-4-15-7(5)13-3-8(10,11)12/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyQNXFMFAVSOIIJD-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.67
Rot. Bonds3

About 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 63727896) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID63727896
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCC(F)(F)F
InChIInChI=1S/C8H9ClF3N3/c1-2-5-6(9)14-4-15-7(5)13-3-8(10,11)12/h4H,2-3H2,1H3,(H,13,14,15)
InChIKeyQNXFMFAVSOIIJD-UHFFFAOYSA-N
XLogP2.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 63727896) is 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1NCC(F)(F)F.
What is the InChIKey of 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is QNXFMFAVSOIIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c1-2-5-6(9)14-4-15-7(5)13-3-8(10,11)12/h4H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 239.63 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 63727896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).