6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C9H16ClN5O2 — CID 106197149

IUPAC6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOC(CNc1nc(Cl)nc(N(C)C)n1)OC
InChIInChI=1S/C9H16ClN5O2/c1-15(2)9-13-7(10)12-8(14-9)11-5-6(16-3)17-4/h6H,5H2,1-4H3,(H,11,12,13,14)
InChIKeyIBOXRTKSWBSMQY-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.62
Rot. Bonds6

About 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 106197149) has the molecular formula C9H16ClN5O2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID106197149
Molecular FormulaC9H16ClN5O2
Molecular Weight261.71 g/mol
Exact Mass261.10
IUPAC Name6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOC(CNc1nc(Cl)nc(N(C)C)n1)OC
InChIInChI=1S/C9H16ClN5O2/c1-15(2)9-13-7(10)12-8(14-9)11-5-6(16-3)17-4/h6H,5H2,1-4H3,(H,11,12,13,14)
InChIKeyIBOXRTKSWBSMQY-UHFFFAOYSA-N
XLogP0.62
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N,2-N-dimethyl-4-N-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 62869363
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122714726
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
6-chloro-2-N,2-N-dimethyl-4-N-(2-phenylpropyl)-1,3,5-triazine-2,4-diamine
CID 104592104
6-chloro-2-N,2-N-dimethyl-4-N-(2-piperidin-1-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 62862949
6-chloro-2-N,2-N-dimethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3132066
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
6-chloro-4-N-(cyclohexylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62864547
4-N-(2-but-3-enoxyethyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106405794
6-chloro-4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869536
4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106197141

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 106197149) is 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COC(CNc1nc(Cl)nc(N(C)C)n1)OC.
What is the InChIKey of 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is IBOXRTKSWBSMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O2/c1-15(2)9-13-7(10)12-8(14-9)11-5-6(16-3)17-4/h6H,5H2,1-4H3,(H,11,12,13,14).
What are the key properties of 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.71 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106197149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).