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

C6H10ClN7O — CID 13196363

IUPAC[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
SMILESCCNc1nc(Cl)nc(NNC(N)=O)n1
InChIInChI=1S/C6H10ClN7O/c1-2-9-5-10-3(7)11-6(12-5)14-13-4(8)15/h2H2,1H3,(H3,8,13,15)(H2,9,10,11,12,14)
InChIKeyHOJBGOTZNGAPDN-UHFFFAOYSA-N
MW231.65 g/mol
LogP-0.05
Rot. Bonds4

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

[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea (PubChem CID 13196363) has the molecular formula C6H10ClN7O and a molecular weight of 231.65 g/mol. Its IUPAC name is [[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea.

Molecular Properties

Compound Name[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
PubChem CID13196363
Molecular FormulaC6H10ClN7O
Molecular Weight231.65 g/mol
Exact Mass231.06
IUPAC Name[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea
SMILESCCNc1nc(Cl)nc(NNC(N)=O)n1
InChIInChI=1S/C6H10ClN7O/c1-2-9-5-10-3(7)11-6(12-5)14-13-4(8)15/h2H2,1H3,(H3,8,13,15)(H2,9,10,11,12,14)
InChIKeyHOJBGOTZNGAPDN-UHFFFAOYSA-N
XLogP-0.05
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]urea
CID 110178349
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-chloroacetamide;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine;1,3,5-triazine
CID 87296700
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434514
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 779516
1-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]-3-methylthiourea
CID 71692745
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide
CID 80805665
6-chloro-4-N-ethyl-2-N-(trifluoromethyl)-1,3,5-triazine-2,4-diamine;methane
CID 88700506

Frequently Asked Questions

What is the IUPAC name of [[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea?
The IUPAC name of [[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea (CID 13196363) is [[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea.
What is the SMILES notation for [[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea?
The canonical SMILES for [[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea is CCNc1nc(Cl)nc(NNC(N)=O)n1.
What is the InChIKey of [[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea?
The InChIKey is HOJBGOTZNGAPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN7O/c1-2-9-5-10-3(7)11-6(12-5)14-13-4(8)15/h2H2,1H3,(H3,8,13,15)(H2,9,10,11,12,14).
What are the key properties of [[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea?
[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea has a molecular weight of 231.65 g/mol, XLogP of -0.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]urea is sourced from PubChem (CID 13196363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).