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

C16H20N4O2S — CID 91824850

IUPAC(4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccs2)n1
InChIInChI=1S/C16H20N4O2S/c1-10(2)12-9-22-16(21)20(12)14-6-7-17-15(19-14)18-11(3)13-5-4-8-23-13/h4-8,10-12H,9H2,1-3H3,(H,17,18,19)/t11-,12-/m1/s1
InChIKeyQZCHNGHROUYZIC-VXGBXAGGSA-N
MW332.43 g/mol
LogP3.69
Rot. Bonds5

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

(4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 91824850) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID91824850
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name(4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccs2)n1
InChIInChI=1S/C16H20N4O2S/c1-10(2)12-9-22-16(21)20(12)14-6-7-17-15(19-14)18-11(3)13-5-4-8-23-13/h4-8,10-12H,9H2,1-3H3,(H,17,18,19)/t11-,12-/m1/s1
InChIKeyQZCHNGHROUYZIC-VXGBXAGGSA-N
XLogP3.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 91824850) is (4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccs2)n1.
What is the InChIKey of (4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is QZCHNGHROUYZIC-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10(2)12-9-22-16(21)20(12)14-6-7-17-15(19-14)18-11(3)13-5-4-8-23-13/h4-8,10-12H,9H2,1-3H3,(H,17,18,19)/t11-,12-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[2-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 332.43 g/mol, XLogP of 3.69, 5 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-[[(1R)-1-thiophen-2-ylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 91824850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).