N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine

C15H16F3N3O2 — CID 175171629

IUPACN-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
SMILESCC(C)Oc1cc(CNc2ncccn2)cc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O2/c1-10(2)22-12-6-11(7-13(8-12)23-15(16,17)18)9-21-14-19-4-3-5-20-14/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyKUTZJFDKACXHKK-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.77
Rot. Bonds6

About N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine

N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (PubChem CID 175171629) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
PubChem CID175171629
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
SMILESCC(C)Oc1cc(CNc2ncccn2)cc(OC(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O2/c1-10(2)22-12-6-11(7-13(8-12)23-15(16,17)18)9-21-14-19-4-3-5-20-14/h3-8,10H,9H2,1-2H3,(H,19,20,21)
InChIKeyKUTZJFDKACXHKK-UHFFFAOYSA-N
XLogP3.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine (CID 175171629) is N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is CC(C)Oc1cc(CNc2ncccn2)cc(OC(F)(F)F)c1.
What is the InChIKey of N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
The InChIKey is KUTZJFDKACXHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10(2)22-12-6-11(7-13(8-12)23-15(16,17)18)9-21-14-19-4-3-5-20-14/h3-8,10H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine?
N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine has a molecular weight of 327.31 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-propan-2-yloxy-5-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 175171629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).