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

C8H16N8O — CID 110178349

IUPAC[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea
SMILESCCNc1nc(NCC)nc(NNC(N)=O)n1
InChIInChI=1S/C8H16N8O/c1-3-10-6-12-7(11-4-2)14-8(13-6)16-15-5(9)17/h3-4H2,1-2H3,(H3,9,15,17)(H3,10,11,12,13,14,16)
InChIKeyFMILJUZNGQVTDP-UHFFFAOYSA-N
MW240.27 g/mol
LogP-0.27
Rot. Bonds6

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

[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea (PubChem CID 110178349) has the molecular formula C8H16N8O and a molecular weight of 240.27 g/mol. Its IUPAC name is [[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea.

Molecular Properties

Compound Name[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea
PubChem CID110178349
Molecular FormulaC8H16N8O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea
SMILESCCNc1nc(NCC)nc(NNC(N)=O)n1
InChIInChI=1S/C8H16N8O/c1-3-10-6-12-7(11-4-2)14-8(13-6)16-15-5(9)17/h3-4H2,1-2H3,(H3,9,15,17)(H3,10,11,12,13,14,16)
InChIKeyFMILJUZNGQVTDP-UHFFFAOYSA-N
XLogP-0.27
TPSA129.88 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 13196363
1-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylthiourea
CID 71692745
N-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]formamide
CID 14509141
2-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine
CID 87296700
N'-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-pyridin-2-ylcyclopropane-1-carbohydrazide
CID 166386185
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
2-[[4-(tert-butylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]acetamide
CID 977257
2-N-ethyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19357503
2-N,4-N-diethyl-1,3,5-triazine-2,4,6-triamine;ethane;phenol
CID 91501774
2-[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]-1-methoxyguanidine
CID 18523914

Frequently Asked Questions

What is the IUPAC name of [[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea?
The IUPAC name of [[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea (CID 110178349) is [[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea.
What is the SMILES notation for [[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea?
The canonical SMILES for [[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea is CCNc1nc(NCC)nc(NNC(N)=O)n1.
What is the InChIKey of [[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea?
The InChIKey is FMILJUZNGQVTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N8O/c1-3-10-6-12-7(11-4-2)14-8(13-6)16-15-5(9)17/h3-4H2,1-2H3,(H3,9,15,17)(H3,10,11,12,13,14,16).
What are the key properties of [[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea?
[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea has a molecular weight of 240.27 g/mol, XLogP of -0.27, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea is sourced from PubChem (CID 110178349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).