6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C9H11ClF3N3O — CID 62923797

IUPAC6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O/c1-6-15-7(10)4-8(16-6)14-2-3-17-5-9(11,12)13/h4H,2-3,5H2,1H3,(H,14,15,16)
InChIKeyCRYOWZSSFVAENU-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.43
Rot. Bonds5

About 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 62923797) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID62923797
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C9H11ClF3N3O/c1-6-15-7(10)4-8(16-6)14-2-3-17-5-9(11,12)13/h4H,2-3,5H2,1H3,(H,14,15,16)
InChIKeyCRYOWZSSFVAENU-UHFFFAOYSA-N
XLogP2.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 62923797) is 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is Cc1nc(Cl)cc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is CRYOWZSSFVAENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c1-6-15-7(10)4-8(16-6)14-2-3-17-5-9(11,12)13/h4H,2-3,5H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 269.65 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 62923797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).