3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one

C10H15ClN6O2 — CID 45126429

IUPAC3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one
SMILESCN(C)c1nc(N(C)C)nc(N2CC(Cl)OC2=O)n1
InChIInChI=1S/C10H15ClN6O2/c1-15(2)7-12-8(16(3)4)14-9(13-7)17-5-6(11)19-10(17)18/h6H,5H2,1-4H3
InChIKeyOQZDFMDUFALHJX-UHFFFAOYSA-N
MW286.72 g/mol
LogP0.53
Rot. Bonds3

About 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one

3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one (PubChem CID 45126429) has the molecular formula C10H15ClN6O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one
PubChem CID45126429
Molecular FormulaC10H15ClN6O2
Molecular Weight286.72 g/mol
Exact Mass286.09
IUPAC Name3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one
SMILESCN(C)c1nc(N(C)C)nc(N2CC(Cl)OC2=O)n1
InChIInChI=1S/C10H15ClN6O2/c1-15(2)7-12-8(16(3)4)14-9(13-7)17-5-6(11)19-10(17)18/h6H,5H2,1-4H3
InChIKeyOQZDFMDUFALHJX-UHFFFAOYSA-N
XLogP0.53
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_B(1)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one (CID 45126429) is 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one is CN(C)c1nc(N(C)C)nc(N2CC(Cl)OC2=O)n1.
What is the InChIKey of 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one?
The InChIKey is OQZDFMDUFALHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN6O2/c1-15(2)7-12-8(16(3)4)14-9(13-7)17-5-6(11)19-10(17)18/h6H,5H2,1-4H3.
What are the key properties of 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one?
3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one has a molecular weight of 286.72 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-5-chloro-1,3-oxazolidin-2-one is sourced from PubChem (CID 45126429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).