(4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one

C25H28ClFN4O3S — CID 146445084

IUPAC(4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)OC[C@@H]4CF)sc23)c1C[C@@H]1CNCC(C)(C)O1
InChIInChI=1S/C25H28ClFN4O3S/c1-14-4-15(26)5-20(19(14)6-17-9-28-12-25(2,3)34-17)22-23-21(29-13-30-22)7-18(35-23)10-31-16(8-27)11-33-24(31)32/h4-5,7,13,16-17,28H,6,8-12H2,1-3H3/t16-,17+/m0/s1
InChIKeyLAOFEPHHUBDZFP-DLBZAZTESA-N
MW519.04 g/mol
LogP4.92
Rot. Bonds6

About (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one

(4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 146445084) has the molecular formula C25H28ClFN4O3S and a molecular weight of 519.04 g/mol. Its IUPAC name is (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID146445084
Molecular FormulaC25H28ClFN4O3S
Molecular Weight519.04 g/mol
Exact Mass518.16
IUPAC Name(4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESCc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)OC[C@@H]4CF)sc23)c1C[C@@H]1CNCC(C)(C)O1
InChIInChI=1S/C25H28ClFN4O3S/c1-14-4-15(26)5-20(19(14)6-17-9-28-12-25(2,3)34-17)22-23-21(29-13-30-22)7-18(35-23)10-31-16(8-27)11-33-24(31)32/h4-5,7,13,16-17,28H,6,8-12H2,1-3H3/t16-,17+/m0/s1
InChIKeyLAOFEPHHUBDZFP-DLBZAZTESA-N
XLogP4.92
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.04
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 146445084) is (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is Cc1cc(Cl)cc(-c2ncnc3cc(CN4C(=O)OC[C@@H]4CF)sc23)c1C[C@@H]1CNCC(C)(C)O1.
What is the InChIKey of (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is LAOFEPHHUBDZFP-DLBZAZTESA-N. The full InChI is InChI=1S/C25H28ClFN4O3S/c1-14-4-15(26)5-20(19(14)6-17-9-28-12-25(2,3)34-17)22-23-21(29-13-30-22)7-18(35-23)10-31-16(8-27)11-33-24(31)32/h4-5,7,13,16-17,28H,6,8-12H2,1-3H3/t16-,17+/m0/s1.
What are the key properties of (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one?
(4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 519.04 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[[4-[5-chloro-2-[[(2R)-6,6-dimethylmorpholin-2-yl]methyl]-3-methylphenyl]thieno[3,2-d]pyrimidin-6-yl]methyl]-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 146445084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).