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

C12H14N6O3 — CID 80878884

IUPAC2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H14N6O3/c1-7-4-5-8(18(19)20)6-9(7)21-12-15-10(13)14-11(16-12)17(2)3/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeySZPWDZYIVJVBPA-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.53
Rot. Bonds4

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

2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80878884) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine
PubChem CID80878884
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C12H14N6O3/c1-7-4-5-8(18(19)20)6-9(7)21-12-15-10(13)14-11(16-12)17(2)3/h4-6H,1-3H3,(H2,13,14,15,16)
InChIKeySZPWDZYIVJVBPA-UHFFFAOYSA-N
XLogP1.53
TPSA120.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.53
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

6-(2-chloro-5-nitrophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80880404
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
2-(2-methyl-5-nitrophenoxy)pyrimidin-4-amine
CID 116797824
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870869
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
6-(2,4-dibromophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80877262
3-(2-methyl-5-nitrophenoxy)azetidine
CID 62785560
N,N-dimethyl-5-(2-methyl-4-nitrophenoxy)pyridin-2-amine
CID 167459315
5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
[3,5-dichloro-6-(2-methyl-5-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102762949

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine (CID 80878884) is 2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine is Cc1ccc([N+](=O)[O-])cc1Oc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is SZPWDZYIVJVBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-7-4-5-8(18(19)20)6-9(7)21-12-15-10(13)14-11(16-12)17(2)3/h4-6H,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 290.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(2-methyl-5-nitrophenoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80878884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).