N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C24H24F3N5O2 — CID 164533896

IUPACN-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccc(C3CCOCC3)cn2)nc1N1OCC[C@H]1c1ccccc1
InChIInChI=1S/C24H24F3N5O2/c25-24(26,27)19-15-29-23(30-21-7-6-18(14-28-21)16-8-11-33-12-9-16)31-22(19)32-20(10-13-34-32)17-4-2-1-3-5-17/h1-7,14-16,20H,8-13H2,(H,28,29,30,31)/t20-/m0/s1
InChIKeyPWLZPBDLTINBIW-FQEVSTJZSA-N
MW471.48 g/mol
LogP5.41
Rot. Bonds5

About N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine

N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 164533896) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID164533896
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(Nc2ccc(C3CCOCC3)cn2)nc1N1OCC[C@H]1c1ccccc1
InChIInChI=1S/C24H24F3N5O2/c25-24(26,27)19-15-29-23(30-21-7-6-18(14-28-21)16-8-11-33-12-9-16)31-22(19)32-20(10-13-34-32)17-4-2-1-3-5-17/h1-7,14-16,20H,8-13H2,(H,28,29,30,31)/t20-/m0/s1
InChIKeyPWLZPBDLTINBIW-FQEVSTJZSA-N
XLogP5.41
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 164533710
N-(1-cyclopropylpyrazol-4-yl)-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533700
phenyl-[4-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 164533893
1-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-4-ol
CID 175753992
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533689
N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175753999
N-(3-fluoro-4-piperidin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175754141
N-(3-methoxy-4-morpholin-4-ylphenyl)-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175754123
2-methyl-N-[4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 175753997
5-methoxy-6-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 164533890
N-[4-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3,5-difluorophenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533768
N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175754151

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 164533896) is N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(Nc2ccc(C3CCOCC3)cn2)nc1N1OCC[C@H]1c1ccccc1.
What is the InChIKey of N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PWLZPBDLTINBIW-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c25-24(26,27)19-15-29-23(30-21-7-6-18(14-28-21)16-8-11-33-12-9-16)31-22(19)32-20(10-13-34-32)17-4-2-1-3-5-17/h1-7,14-16,20H,8-13H2,(H,28,29,30,31)/t20-/m0/s1.
What are the key properties of N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 471.48 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxan-4-yl)-2-pyridinyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 164533896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).