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

C13H14N4O3 — CID 80870775

IUPACN,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2cc(C)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H14N4O3/c1-8-4-5-10(17(18)19)11(6-8)20-12-7-9(2)15-13(14-3)16-12/h4-7H,1-3H3,(H,14,15,16)
InChIKeyJUKAKGDJYFNLRL-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.84
Rot. Bonds4

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

N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine (PubChem CID 80870775) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
PubChem CID80870775
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
SMILESCNc1nc(C)cc(Oc2cc(C)ccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H14N4O3/c1-8-4-5-10(17(18)19)11(6-8)20-12-7-9(2)15-13(14-3)16-12/h4-7H,1-3H3,(H,14,15,16)
InChIKeyJUKAKGDJYFNLRL-UHFFFAOYSA-N
XLogP2.84
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.84
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

4-(2-chloro-4-nitrophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80871357
[6-(5-methyl-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80920526
2-bromo-6-methyl-3-(5-methyl-2-nitrophenoxy)pyridine
CID 133476936
6-(5-methyl-2-nitrophenoxy)-5-nitropyridin-2-amine
CID 80879134
2,3,5-trichloro-6-(5-methyl-2-nitrophenoxy)pyridine
CID 102749610
2,6-dimethyl-4-(5-methyl-2-nitrophenoxy)pyridine-3-carbonitrile
CID 81061226
[4-(4-bromo-5-fluoro-2-nitrophenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 103484708
[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80912368
2-(2-bromophenoxy)-4-methyl-1-nitrobenzene
CID 75356396
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 80860264
N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80879033
[4-(4-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920014

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine (CID 80870775) is N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine is CNc1nc(C)cc(Oc2cc(C)ccc2[N+](=O)[O-])n1.
What is the InChIKey of N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is JUKAKGDJYFNLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-4-5-10(17(18)19)11(6-8)20-12-7-9(2)15-13(14-3)16-12/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine?
N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 274.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80870775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).