1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea

C8H13ClN6O — CID 54265698

IUPAC1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea
SMILESCNc1nc(Cl)nc(N(C)C(=O)N(C)C)n1
InChIInChI=1S/C8H13ClN6O/c1-10-6-11-5(9)12-7(13-6)15(4)8(16)14(2)3/h1-4H3,(H,10,11,12,13)
InChIKeyRGPDBQGNTGPWPG-UHFFFAOYSA-N
MW244.69 g/mol
LogP0.68
Rot. Bonds2

About 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea

1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea (PubChem CID 54265698) has the molecular formula C8H13ClN6O and a molecular weight of 244.69 g/mol. Its IUPAC name is 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea
PubChem CID54265698
Molecular FormulaC8H13ClN6O
Molecular Weight244.69 g/mol
Exact Mass244.08
IUPAC Name1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea
SMILESCNc1nc(Cl)nc(N(C)C(=O)N(C)C)n1
InChIInChI=1S/C8H13ClN6O/c1-10-6-11-5(9)12-7(13-6)15(4)8(16)14(2)3/h1-4H3,(H,10,11,12,13)
InChIKeyRGPDBQGNTGPWPG-UHFFFAOYSA-N
XLogP0.68
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Hmmm TP243
CID 156601176
6-chloro-N2,N2,N4-trimethyl-1,3,5-triazine-2,4-diamine
CID 459151
N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylformamide
CID 326498
N-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]formamide
CID 326499
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
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-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamoyl chloride
CID 54266606

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea (CID 54265698) is 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea is CNc1nc(Cl)nc(N(C)C(=O)N(C)C)n1.
What is the InChIKey of 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea?
The InChIKey is RGPDBQGNTGPWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6O/c1-10-6-11-5(9)12-7(13-6)15(4)8(16)14(2)3/h1-4H3,(H,10,11,12,13).
What are the key properties of 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea?
1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea has a molecular weight of 244.69 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 54265698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).