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

C9H12F3N3O — CID 60965989

IUPACN-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCOCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-2-16-6-5-14-8-13-4-3-7(15-8)9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyNFKPXFLEFCIHKE-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.94
Rot. Bonds5

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

N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 60965989) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID60965989
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCCOCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C9H12F3N3O/c1-2-16-6-5-14-8-13-4-3-7(15-8)9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,14,15)
InChIKeyNFKPXFLEFCIHKE-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.94
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-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 60965989) is N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine is CCOCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is NFKPXFLEFCIHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-2-16-6-5-14-8-13-4-3-7(15-8)9(10,11)12/h3-4H,2,5-6H2,1H3,(H,13,14,15).
What are the key properties of N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 235.21 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 60965989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).