(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C20H33N5O2 — CID 86730274

IUPAC(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C20H33N5O2/c1-13(2)17-12-27-20(26)25(17)18-6-9-21-19(23-18)22-15(5)16-7-10-24(11-8-16)14(3)4/h6,9,13-17H,7-8,10-12H2,1-5H3,(H,21,22,23)/t15-,17+/m0/s1
InChIKeyROQPUQDJIGAEKQ-DOTOQJQBSA-N
MW375.52 g/mol
LogP3.38
Rot. Bonds6

About (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 86730274) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID86730274
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(C)C)CC2)n1
InChIInChI=1S/C20H33N5O2/c1-13(2)17-12-27-20(26)25(17)18-6-9-21-19(23-18)22-15(5)16-7-10-24(11-8-16)14(3)4/h6,9,13-17H,7-8,10-12H2,1-5H3,(H,21,22,23)/t15-,17+/m0/s1
InChIKeyROQPUQDJIGAEKQ-DOTOQJQBSA-N
XLogP3.38
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490067
(4S)-3-[2-[[(1S)-1-(5-chloropyrimidin-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347609
(4S)-3-[2-[[(1S)-1-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479289
(4S)-3-[2-[[(1S)-1-(5-iodopyrimidin-2-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490006
3-[2-[[(1S)-1-cyclohexylethyl]amino]pyrimidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 89490059
Tert-butyl 4-[[(2-aminopyrimidin-4-yl)amino]methyl]piperidine-1-carboxylate
CID 49857007
(4S)-3-[2-[[(1S)-1-[1-(oxane-4-carbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479006
(4S)-3-[2-[[(1S)-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479699
(4S)-3-[2-[[(1S)-1-cyclopropylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489744
(4S)-3-[2-[[(2S)-3,3-dimethylbutan-2-yl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89489755
(4S)-3-[2-[[(2S)-4-methylpentan-2-yl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490035
(4S)-3-[2-(1-adamantylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490066

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 86730274) is (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(C)C)CC2)n1.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ROQPUQDJIGAEKQ-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-13(2)17-12-27-20(26)25(17)18-6-9-21-19(23-18)22-15(5)16-7-10-24(11-8-16)14(3)4/h6,9,13-17H,7-8,10-12H2,1-5H3,(H,21,22,23)/t15-,17+/m0/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[2-[[(1S)-1-(1-propan-2-ylpiperidin-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 86730274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).