N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3O2 — CID 60759500

IUPACN-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCCOCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-17-6-7-18-5-4-15-9-14-3-2-8(16-9)10(11,12)13/h2-3H,4-7H2,1H3,(H,14,15,16)
InChIKeyPCZFMPQTZOAAMJ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.57
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 60759500) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID60759500
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCCOCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-17-6-7-18-5-4-15-9-14-3-2-8(16-9)10(11,12)13/h2-3H,4-7H2,1H3,(H,14,15,16)
InChIKeyPCZFMPQTZOAAMJ-UHFFFAOYSA-N
XLogP1.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 60759500) is N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is COCCOCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PCZFMPQTZOAAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-17-6-7-18-5-4-15-9-14-3-2-8(16-9)10(11,12)13/h2-3H,4-7H2,1H3,(H,14,15,16).
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 265.23 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 60759500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).