3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one

C15H24N4O2 — CID 130285226

IUPAC3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2CC(C)(C)OC2=O)n1)C(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-10(14(2,3)4)17-12-16-8-7-11(18-12)19-9-15(5,6)21-13(19)20/h7-8,10H,9H2,1-6H3,(H,16,17,18)/t10-/m0/s1
InChIKeyOOMLFBCXCQPDOS-JTQLQIEISA-N
MW292.38 g/mol
LogP3.06
Rot. Bonds3

About 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one

3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 130285226) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID130285226
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2CC(C)(C)OC2=O)n1)C(C)(C)C
InChIInChI=1S/C15H24N4O2/c1-10(14(2,3)4)17-12-16-8-7-11(18-12)19-9-15(5,6)21-13(19)20/h7-8,10H,9H2,1-6H3,(H,16,17,18)/t10-/m0/s1
InChIKeyOOMLFBCXCQPDOS-JTQLQIEISA-N
XLogP3.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285962
3-[2-[[(1S)-1-(4-tert-butylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285288
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285255
(4S)-4-phenyl-3-[2-(1,1,1-trifluoropropan-2-ylamino)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90342888
3-[2-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285088
3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285907
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
tert-butyl 2,2-dimethyl-4-[[4-[1-[[4-(2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]methyl]piperazine-1-carboxylate
CID 130285327
tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate
CID 164532573
5,5-dimethyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrrolidin-2-one
CID 90458172
(4S)-5,5-dimethyl-4-phenyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490003

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 130285226) is 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2CC(C)(C)OC2=O)n1)C(C)(C)C.
What is the InChIKey of 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is OOMLFBCXCQPDOS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(14(2,3)4)17-12-16-8-7-11(18-12)19-9-15(5,6)21-13(19)20/h7-8,10H,9H2,1-6H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one?
3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 292.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130285226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).