N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine

C8H10F3N3O — CID 60725723

IUPACN-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-15-5-4-13-7-12-3-2-6(14-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13,14)
InChIKeyJDWZTIPSKQZGQF-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.55
Rot. Bonds4

About N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 60725723) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID60725723
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC NameN-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-15-5-4-13-7-12-3-2-6(14-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13,14)
InChIKeyJDWZTIPSKQZGQF-UHFFFAOYSA-N
XLogP1.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.55
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 N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 60725723) is N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine is COCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JDWZTIPSKQZGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-15-5-4-13-7-12-3-2-6(14-7)8(9,10)11/h2-3H,4-5H2,1H3,(H,12,13,14).
What are the key properties of N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 221.18 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 60725723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).