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

C8H15N7O — CID 54219225

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea
SMILESCN(C)c1nc(NC(N)=O)nc(N(C)C)n1
InChIInChI=1S/C8H15N7O/c1-14(2)7-11-6(10-5(9)16)12-8(13-7)15(3)4/h1-4H3,(H3,9,10,11,12,13,16)
InChIKeyQBJCFOOTEGUXIU-UHFFFAOYSA-N
MW225.26 g/mol
LogP-0.51
Rot. Bonds3

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

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea (PubChem CID 54219225) has the molecular formula C8H15N7O and a molecular weight of 225.26 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea
PubChem CID54219225
Molecular FormulaC8H15N7O
Molecular Weight225.26 g/mol
Exact Mass225.13
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea
SMILESCN(C)c1nc(NC(N)=O)nc(N(C)C)n1
InChIInChI=1S/C8H15N7O/c1-14(2)7-11-6(10-5(9)16)12-8(13-7)15(3)4/h1-4H3,(H3,9,10,11,12,13,16)
InChIKeyQBJCFOOTEGUXIU-UHFFFAOYSA-N
XLogP-0.51
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Hmmm TP243
CID 156601176
Hmmm TP353
CID 156601177
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
Pentamethyl-N-formylmelamine
CID 358715
4,6-Bis(dimethylamino)-1-[4,6-bis(dimethylamino)triazinyl-2]-s-triazin-2(1H)one
CID 631556
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]cyanamide
CID 1521574
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
CID 12924257
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-(2,4-dichloro-s-triazin-6-yl)-N-methyl-urea
CID 21558473

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea (CID 54219225) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea is CN(C)c1nc(NC(N)=O)nc(N(C)C)n1.
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea?
The InChIKey is QBJCFOOTEGUXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N7O/c1-14(2)7-11-6(10-5(9)16)12-8(13-7)15(3)4/h1-4H3,(H3,9,10,11,12,13,16).
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea has a molecular weight of 225.26 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]urea is sourced from PubChem (CID 54219225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).