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

C13H19F3N4O — CID 174591104

IUPACN-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN(CC1COC(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
InChIKeyACGXUDIDBOWQQM-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.05
Rot. Bonds4

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

N-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 174591104) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID174591104
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC NameN-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCN(CC1COC(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
InChIKeyACGXUDIDBOWQQM-UHFFFAOYSA-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

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Related Compounds

4-[(3R)-3-Aminopyrrolidin-1-yl]-N-(tetrahydro-2H-pyran-4-yl)pyrimidin-2-amine
CID 58227346
(4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90343064
[(2S,4S)-4-methoxy-1-(pyrimidin-4-yl)pyrrolidin-2-yl]methanamine dihydrochloride
CID 139023976
rac-4-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 145874812
rac-4-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]pyrimidin-2-amine dihydrochloride
CID 145909717
N-[1-(morpholin-4-yl)propan-2-yl]pyrimidin-4-amine
CID 61504371
N-(3-morpholin-4-ylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 72869990
2-[(1S)-1-[2-ethoxyethyl(methyl)amino]ethyl]pyrimidin-4-amine
CID 125535677
1-[2-(methoxymethyl)pyrimidin-4-yl]-N,N,2-trimethylpyrrolidin-3-amine
CID 132389212
1-(2-methoxyethyl)-1-[(3S)-oxolan-3-yl]-3-(pyrimidin-2-ylmethyl)urea
CID 164631077
4-N-(4-morpholin-4-yloxolan-3-yl)pyrimidine-2,4-diamine
CID 171359529
1-[2-[3-[(4-Amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]propoxy]pyrimidin-4-yl]-2-(2,2,2-trifluoroethyl)guanidine
CID 20186896

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 174591104) is N-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is CCN(CC1COC(C)(C)N1)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ACGXUDIDBOWQQM-UHFFFAOYSA-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.
What are the key properties of N-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-[(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-[(2,2-dimethyl-1,3-oxazolidin-4-yl)methyl]-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 174591104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).