N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C14H14F3N3O — CID 3234764

IUPACN-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOCCNc1ccnc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-21-9-8-18-12-6-7-19-13(20-12)10-4-2-3-5-11(10)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,19,20)
InChIKeyXOFAFTPUOZHSTC-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.22
Rot. Bonds5

About N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3234764) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3234764
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOCCNc1ccnc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O/c1-21-9-8-18-12-6-7-19-13(20-12)10-4-2-3-5-11(10)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,19,20)
InChIKeyXOFAFTPUOZHSTC-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.22
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)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3234764) is N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is COCCNc1ccnc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is XOFAFTPUOZHSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-9-8-18-12-6-7-19-13(20-12)10-4-2-3-5-11(10)14(15,16)17/h2-7H,8-9H2,1H3,(H,18,19,20).
What are the key properties of N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 297.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3234764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).