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

C13H17F3N4O2 — CID 90343064

IUPAC(4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O2/c1-7(2)9-6-22-12(21)20(9)10-4-5-17-11(19-10)18-8(3)13(14,15)16/h4-5,7-9H,6H2,1-3H3,(H,17,18,19)/t8-,9-/m1/s1
InChIKeyUMWYIGUFAPJVEV-RKDXNWHRSA-N
MW318.30 g/mol
LogP2.82
Rot. Bonds4

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

(4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90343064) has the molecular formula C13H17F3N4O2 and a molecular weight of 318.30 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90343064
Molecular FormulaC13H17F3N4O2
Molecular Weight318.30 g/mol
Exact Mass318.13
IUPAC Name(4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O2/c1-7(2)9-6-22-12(21)20(9)10-4-5-17-11(19-10)18-8(3)13(14,15)16/h4-5,7-9H,6H2,1-3H3,(H,17,18,19)/t8-,9-/m1/s1
InChIKeyUMWYIGUFAPJVEV-RKDXNWHRSA-N
XLogP2.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

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-(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 (3R)-3-[(2-aminopyrimidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 49857009
(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-(cyclohexylmethylamino)pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89490160
(4S)-3-[2-[[(1R)-1-cyclopentylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90347604
3-(2-{[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]amino}ethyl)-1,3-oxazolidin-2-one
CID 72906073

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (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) is (4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)C(F)(F)F)n1.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is UMWYIGUFAPJVEV-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H17F3N4O2/c1-7(2)9-6-22-12(21)20(9)10-4-5-17-11(19-10)18-8(3)13(14,15)16/h4-5,7-9H,6H2,1-3H3,(H,17,18,19)/t8-,9-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 318.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90343064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).