3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one

C13H16N4O2S — CID 62208702

IUPAC3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCCNc1nc(CN2CCOC2=O)nc2sccc12
InChIInChI=1S/C13H16N4O2S/c1-2-4-14-11-9-3-7-20-12(9)16-10(15-11)8-17-5-6-19-13(17)18/h3,7H,2,4-6,8H2,1H3,(H,14,15,16)
InChIKeyXZHBQXMIUXAHGL-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.47
Rot. Bonds5

About 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one

3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 62208702) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID62208702
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCCNc1nc(CN2CCOC2=O)nc2sccc12
InChIInChI=1S/C13H16N4O2S/c1-2-4-14-11-9-3-7-20-12(9)16-10(15-11)8-17-5-6-19-13(17)18/h3,7H,2,4-6,8H2,1H3,(H,14,15,16)
InChIKeyXZHBQXMIUXAHGL-UHFFFAOYSA-N
XLogP2.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one (CID 62208702) is 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one is CCCNc1nc(CN2CCOC2=O)nc2sccc12.
What is the InChIKey of 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XZHBQXMIUXAHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-4-14-11-9-3-7-20-12(9)16-10(15-11)8-17-5-6-19-13(17)18/h3,7H,2,4-6,8H2,1H3,(H,14,15,16).
What are the key properties of 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one?
3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 292.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 62208702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).