6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine

C14H16N4O3 — CID 80879079

IUPAC6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cc(C)c([N+](=O)[O-])cc2C)c1C
InChIInChI=1S/C14H16N4O3/c1-8-6-12(9(2)5-11(8)18(19)20)21-14-10(3)13(15-4)16-7-17-14/h5-7H,1-4H3,(H,15,16,17)
InChIKeyRNQUZLYNNAISHL-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.14
Rot. Bonds4

About 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine

6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80879079) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
PubChem CID80879079
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2cc(C)c([N+](=O)[O-])cc2C)c1C
InChIInChI=1S/C14H16N4O3/c1-8-6-12(9(2)5-11(8)18(19)20)21-14-10(3)13(15-4)16-7-17-14/h5-7H,1-4H3,(H,15,16,17)
InChIKeyRNQUZLYNNAISHL-UHFFFAOYSA-N
XLogP3.14
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80870457
6-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80873099
[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920169
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80874410
N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875633
[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80921197
2,4-dichloro-6-(2,5-dimethyl-4-nitrophenoxy)-1,3,5-triazine
CID 63180759
5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80880830
3,6-dichloro-5-(2,5-dimethyl-4-nitrophenoxy)-1,2,4-triazine
CID 81036467
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
6-(2,4-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725350
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 38740235

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine (CID 80879079) is 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(Oc2cc(C)c([N+](=O)[O-])cc2C)c1C.
What is the InChIKey of 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is RNQUZLYNNAISHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8-6-12(9(2)5-11(8)18(19)20)21-14-10(3)13(15-4)16-7-17-14/h5-7H,1-4H3,(H,15,16,17).
What are the key properties of 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine?
6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80879079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).