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

C15H19N5O2S — CID 90343123

IUPAC4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ccnc(N[C@H](C)c2cscn2)n1
InChIInChI=1S/C15H19N5O2S/c1-9(2)12-6-22-15(21)20(12)13-4-5-16-14(19-13)18-10(3)11-7-23-8-17-11/h4-5,7-10,12H,6H2,1-3H3,(H,16,18,19)/t10-,12?/m1/s1
InChIKeyZRZHLITULPSHHK-RWANSRKNSA-N
MW333.42 g/mol
LogP3.09
Rot. Bonds5

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

4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 90343123) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID90343123
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1c1ccnc(N[C@H](C)c2cscn2)n1
InChIInChI=1S/C15H19N5O2S/c1-9(2)12-6-22-15(21)20(12)13-4-5-16-14(19-13)18-10(3)11-7-23-8-17-11/h4-5,7-10,12H,6H2,1-3H3,(H,16,18,19)/t10-,12?/m1/s1
InChIKeyZRZHLITULPSHHK-RWANSRKNSA-N
XLogP3.09
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 90343123) is 4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1ccnc(N[C@H](C)c2cscn2)n1.
What is the InChIKey of 4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZRZHLITULPSHHK-RWANSRKNSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-9(2)12-6-22-15(21)20(12)13-4-5-16-14(19-13)18-10(3)11-7-23-8-17-11/h4-5,7-10,12H,6H2,1-3H3,(H,16,18,19)/t10-,12?/m1/s1.
What are the key properties of 4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 333.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-[2-[[(1R)-1-(1,3-thiazol-4-yl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 90343123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).