3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one

C23H20N4O3S — CID 133278985

IUPAC3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one
SMILESCOCc1nc(Nc2cccc(N3CCOC3=O)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H20N4O3S/c1-29-13-19-25-21(20-18(14-31-22(20)26-19)15-6-3-2-4-7-15)24-16-8-5-9-17(12-16)27-10-11-30-23(27)28/h2-9,12,14H,10-11,13H2,1H3,(H,24,25,26)
InChIKeyATZOSSAYJRQHKD-UHFFFAOYSA-N
MW432.51 g/mol
LogP5.20
Rot. Bonds6

About 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one

3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one (PubChem CID 133278985) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one
PubChem CID133278985
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one
SMILESCOCc1nc(Nc2cccc(N3CCOC3=O)c2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C23H20N4O3S/c1-29-13-19-25-21(20-18(14-31-22(20)26-19)15-6-3-2-4-7-15)24-16-8-5-9-17(12-16)27-10-11-30-23(27)28/h2-9,12,14H,10-11,13H2,1H3,(H,24,25,26)
InChIKeyATZOSSAYJRQHKD-UHFFFAOYSA-N
XLogP5.20
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714
2-(methoxymethyl)-N-(2-methylsulfonylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133279130
N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4846737
3-[[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]benzamide
CID 133278970
1-[4-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-2-methylpropan-1-one
CID 133278968
N-[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 133447047
2-(methoxymethyl)-N-[1-(oxolan-2-yl)ethyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278958
2-(methoxymethyl)-N-(1-methylsulfanylpropan-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133311829
4-chloro-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 47002660
2-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylacetamide
CID 133278882
3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 133279193
2-(methoxymethyl)-5-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133278921

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one (CID 133278985) is 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one is COCc1nc(Nc2cccc(N3CCOC3=O)c2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ATZOSSAYJRQHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-29-13-19-25-21(20-18(14-31-22(20)26-19)15-6-3-2-4-7-15)24-16-8-5-9-17(12-16)27-10-11-30-23(27)28/h2-9,12,14H,10-11,13H2,1H3,(H,24,25,26).
What are the key properties of 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one?
3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 432.51 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 133278985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).