4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline

C18H24N4OS — CID 4007920

IUPAC4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
SMILESCc1cc(C)nc(SCC2CNC(c3ccc(N(C)C)cc3)O2)n1
InChIInChI=1S/C18H24N4OS/c1-12-9-13(2)21-18(20-12)24-11-16-10-19-17(23-16)14-5-7-15(8-6-14)22(3)4/h5-9,16-17,19H,10-11H2,1-4H3
InChIKeyYKMGPLLJVCPUMA-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.94
Rot. Bonds5

About 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline

4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline (PubChem CID 4007920) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
PubChem CID4007920
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline
SMILESCc1cc(C)nc(SCC2CNC(c3ccc(N(C)C)cc3)O2)n1
InChIInChI=1S/C18H24N4OS/c1-12-9-13(2)21-18(20-12)24-11-16-10-19-17(23-16)14-5-7-15(8-6-14)22(3)4/h5-9,16-17,19H,10-11H2,1-4H3
InChIKeyYKMGPLLJVCPUMA-UHFFFAOYSA-N
XLogP2.94
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline (CID 4007920) is 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline is Cc1cc(C)nc(SCC2CNC(c3ccc(N(C)C)cc3)O2)n1.
What is the InChIKey of 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline?
The InChIKey is YKMGPLLJVCPUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-9-13(2)21-18(20-12)24-11-16-10-19-17(23-16)14-5-7-15(8-6-14)22(3)4/h5-9,16-17,19H,10-11H2,1-4H3.
What are the key properties of 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline?
4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline has a molecular weight of 344.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 4007920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).