3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one

C9H11ClN4O2 — CID 152631799

IUPAC3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCc1nc(Cl)nc(N2C(=O)OCC2(C)C)n1
InChIInChI=1S/C9H11ClN4O2/c1-5-11-6(10)13-7(12-5)14-8(15)16-4-9(14,2)3/h4H2,1-3H3
InChIKeyZDRMSQVXTCQSCI-UHFFFAOYSA-N
MW242.67 g/mol
LogP1.57
Rot. Bonds1

About 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one

3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 152631799) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID152631799
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCc1nc(Cl)nc(N2C(=O)OCC2(C)C)n1
InChIInChI=1S/C9H11ClN4O2/c1-5-11-6(10)13-7(12-5)14-8(15)16-4-9(14,2)3/h4H2,1-3H3
InChIKeyZDRMSQVXTCQSCI-UHFFFAOYSA-N
XLogP1.57
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one (CID 152631799) is 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one is Cc1nc(Cl)nc(N2C(=O)OCC2(C)C)n1.
What is the InChIKey of 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is ZDRMSQVXTCQSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c1-5-11-6(10)13-7(12-5)14-8(15)16-4-9(14,2)3/h4H2,1-3H3.
What are the key properties of 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one?
3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 242.67 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-6-methyl-1,3,5-triazin-2-yl)-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 152631799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).