N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

C13H19F3N4O — CID 141212443

IUPACN-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN(C[C@H]1COC(C)(C)N1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-4-20(7-9-8-21-12(2,3)19-9)10-5-6-17-11(18-10)13(14,15)16/h5-6,9,19H,4,7-8H2,1-3H3/t9-/m0/s1
InChIKeyACGXUDIDBOWQQM-VIFPVBQESA-N
MW304.32 g/mol
LogP2.05
Rot. Bonds4

About N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine

N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 141212443) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID141212443
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN(C[C@H]1COC(C)(C)N1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-4-20(7-9-8-21-12(2,3)19-9)10-5-6-17-11(18-10)13(14,15)16/h5-6,9,19H,4,7-8H2,1-3H3/t9-/m0/s1
InChIKeyACGXUDIDBOWQQM-VIFPVBQESA-N
XLogP2.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-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-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 141212443) is N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCN(C[C@H]1COC(C)(C)N1)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ACGXUDIDBOWQQM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-4-20(7-9-8-21-12(2,3)19-9)10-5-6-17-11(18-10)13(14,15)16/h5-6,9,19H,4,7-8H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 304.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 141212443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).