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

C11H11ClN6O3 — CID 80880404

IUPAC6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Oc2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C11H11ClN6O3/c1-17(2)10-14-9(13)15-11(16-10)21-8-5-6(18(19)20)3-4-7(8)12/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyKGCDIIWECZADTP-UHFFFAOYSA-N
MW310.70 g/mol
LogP1.87
Rot. Bonds4

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

6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80880404) has the molecular formula C11H11ClN6O3 and a molecular weight of 310.70 g/mol. Its IUPAC name is 6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80880404
Molecular FormulaC11H11ClN6O3
Molecular Weight310.70 g/mol
Exact Mass310.06
IUPAC Name6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Oc2cc([N+](=O)[O-])ccc2Cl)n1
InChIInChI=1S/C11H11ClN6O3/c1-17(2)10-14-9(13)15-11(16-10)21-8-5-6(18(19)20)3-4-7(8)12/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyKGCDIIWECZADTP-UHFFFAOYSA-N
XLogP1.87
TPSA120.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80878884
2-N,2-N-dimethyl-6-(3-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80870950
2-N,2-N-dimethyl-6-(2-methyl-3-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80875917
6-(4-bromo-2-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80882074
4-(2-chloro-5-nitrophenoxy)pyrimidin-2-amine
CID 80879396
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870869
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
6-(2-chloro-5-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80942269
6-(2,4-dibromophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80877262
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
5-(2-chloro-5-nitrophenoxy)-2-nitroaniline
CID 106752058

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80880404) is 6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(Oc2cc([N+](=O)[O-])ccc2Cl)n1.
What is the InChIKey of 6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KGCDIIWECZADTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O3/c1-17(2)10-14-9(13)15-11(16-10)21-8-5-6(18(19)20)3-4-7(8)12/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 310.70 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80880404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).