3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea

C6H7Cl2N5O — CID 21173

IUPAC3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H7Cl2N5O/c1-13(2)6(14)12-5-10-3(7)9-4(8)11-5/h1-2H3,(H,9,10,11,12,14)
InChIKeyZOQQFRDXRIVTGV-UHFFFAOYSA-N
MW236.06 g/mol
LogP1.27
Rot. Bonds1

About 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea

3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea (PubChem CID 21173) has the molecular formula C6H7Cl2N5O and a molecular weight of 236.06 g/mol. Its IUPAC name is 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea
PubChem CID21173
Molecular FormulaC6H7Cl2N5O
Molecular Weight236.06 g/mol
Exact Mass235.00
IUPAC Name3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H7Cl2N5O/c1-13(2)6(14)12-5-10-3(7)9-4(8)11-5/h1-2H3,(H,9,10,11,12,14)
InChIKeyZOQQFRDXRIVTGV-UHFFFAOYSA-N
XLogP1.27
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 326498
1-(4,6-Diamino-1,3,5-triazin-2-yl)-3-methylurea
CID 18366364
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 18926846
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylformamide
CID 19736187
1-[4-Amino-6-(methylamino)-1,3,5-triazin-2-yl]-1-methylurea
CID 19909971
N-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 20036841
N-(2,4-dichloro-s-triazin-6-yl)-N-methyl-urea
CID 21558473
N-[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
CID 53655900
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]urea
CID 54219225
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N-methylcarbamoyl chloride
CID 54258198
1-[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea
CID 54265698
N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
CID 54266606

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea?
The IUPAC name of 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea (CID 21173) is 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea is CN(C)C(=O)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea?
The InChIKey is ZOQQFRDXRIVTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N5O/c1-13(2)6(14)12-5-10-3(7)9-4(8)11-5/h1-2H3,(H,9,10,11,12,14).
What are the key properties of 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea?
3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea has a molecular weight of 236.06 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dichloro-1,3,5-triazin-2-yl)-1,1-dimethylurea is sourced from PubChem (CID 21173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).