N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine

C10H14F3N3O — CID 131996525

IUPACN-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)OCCNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)17-4-3-14-9-15-5-8(6-16-9)10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyYVGYYXZTYWDQAF-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.33
Rot. Bonds5

About N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine

N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 131996525) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID131996525
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)OCCNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C10H14F3N3O/c1-7(2)17-4-3-14-9-15-5-8(6-16-9)10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyYVGYYXZTYWDQAF-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.33
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-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 131996525) is N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine is CC(C)OCCNc1ncc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is YVGYYXZTYWDQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(2)17-4-3-14-9-15-5-8(6-16-9)10(11,12)13/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 131996525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).