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

C17H26N4O2 — CID 89490059

IUPAC3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)C1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-12(13-7-5-4-6-8-13)19-15-18-10-9-14(20-15)21-16(22)23-11-17(21,2)3/h9-10,12-13H,4-8,11H2,1-3H3,(H,18,19,20)/t12-/m0/s1
InChIKeyZWIYUWPGWIYNMJ-LBPRGKRZSA-N
MW318.42 g/mol
LogP3.59
Rot. Bonds4

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

3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 89490059) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID89490059
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)C1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-12(13-7-5-4-6-8-13)19-15-18-10-9-14(20-15)21-16(22)23-11-17(21,2)3/h9-10,12-13H,4-8,11H2,1-3H3,(H,18,19,20)/t12-/m0/s1
InChIKeyZWIYUWPGWIYNMJ-LBPRGKRZSA-N
XLogP3.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 89490059) is 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)C1CCCCC1.
What is the InChIKey of 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is ZWIYUWPGWIYNMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(13-7-5-4-6-8-13)19-15-18-10-9-14(20-15)21-16(22)23-11-17(21,2)3/h9-10,12-13H,4-8,11H2,1-3H3,(H,18,19,20)/t12-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89490059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).