N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

C15H17F3N4O — CID 56880668

IUPACN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(Cc1cc(C2CC2)on1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O/c1-22(9-12-8-13(23-21-12)10-2-3-10)14-19-7-5-11(20-14)4-6-15(16,17)18/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeyGFWRARDZBRNBTQ-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.47
Rot. Bonds6

About N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (PubChem CID 56880668) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
PubChem CID56880668
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
SMILESCN(Cc1cc(C2CC2)on1)c1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O/c1-22(9-12-8-13(23-21-12)10-2-3-10)14-19-7-5-11(20-14)4-6-15(16,17)18/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeyGFWRARDZBRNBTQ-UHFFFAOYSA-N
XLogP3.47
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)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-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine (CID 56880668) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is CN(Cc1cc(C2CC2)on1)c1nccc(CCC(F)(F)F)n1.
What is the InChIKey of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
The InChIKey is GFWRARDZBRNBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-22(9-12-8-13(23-21-12)10-2-3-10)14-19-7-5-11(20-14)4-6-15(16,17)18/h5,7-8,10H,2-4,6,9H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine?
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine has a molecular weight of 326.32 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 56880668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).