6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine

C9H15ClN6O — CID 88724036

IUPAC6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C=NOC)n1
InChIInChI=1S/C9H15ClN6O/c1-4-11-8-14-7(10)15-9(16-8)13-6(2)5-12-17-3/h5-6H,4H2,1-3H3,(H2,11,13,14,15,16)
InChIKeyZIMPHWJZKUMNTJ-UHFFFAOYSA-N
MW258.71 g/mol
LogP1.39
Rot. Bonds6

About 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 88724036) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID88724036
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC Name6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Cl)nc(NC(C)C=NOC)n1
InChIInChI=1S/C9H15ClN6O/c1-4-11-8-14-7(10)15-9(16-8)13-6(2)5-12-17-3/h5-6H,4H2,1-3H3,(H2,11,13,14,15,16)
InChIKeyZIMPHWJZKUMNTJ-UHFFFAOYSA-N
XLogP1.39
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
butane;6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 87719227
6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
3-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4-methylpentan-1-ol
CID 106358209
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786906
6-chloro-4-N-ethyl-2-N-(1-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80780980
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
6-chloro-4-N-ethyl-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819261
4-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-1-methoxybutan-2-ol
CID 106248811
1-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159595

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 88724036) is 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine is CCNc1nc(Cl)nc(NC(C)C=NOC)n1.
What is the InChIKey of 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZIMPHWJZKUMNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6O/c1-4-11-8-14-7(10)15-9(16-8)13-6(2)5-12-17-3/h5-6H,4H2,1-3H3,(H2,11,13,14,15,16).
What are the key properties of 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 258.71 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-ethyl-2-N-(1-methoxyiminopropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 88724036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).