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

C13H14N4O3 — CID 80870457

IUPACN,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(C)cc2[N+](=O)[O-])c1C
InChIInChI=1S/C13H14N4O3/c1-8-4-5-11(10(6-8)17(18)19)20-13-9(2)12(14-3)15-7-16-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyVQPNZDRZLLHJED-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.84
Rot. Bonds4

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

N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80870457) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine
PubChem CID80870457
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(C)cc2[N+](=O)[O-])c1C
InChIInChI=1S/C13H14N4O3/c1-8-4-5-11(10(6-8)17(18)19)20-13-9(2)12(14-3)15-7-16-13/h4-7H,1-3H3,(H,14,15,16)
InChIKeyVQPNZDRZLLHJED-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

6-(2,5-dimethyl-4-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80879079
6-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80873099
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
6-(2-bromo-4-methylphenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 38740235
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
trimethyl-[(4-methyl-2-nitrophenoxy)methyl]silane
CID 56529290
[5-methyl-6-(3-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920169
N-methyl-5-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 104536674
2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 114051805
6-(2,4-dichlorophenoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 112725350
5-ethyl-N-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875427
3-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62702106

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine (CID 80870457) is N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine is CNc1ncnc(Oc2ccc(C)cc2[N+](=O)[O-])c1C.
What is the InChIKey of N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is VQPNZDRZLLHJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-4-5-11(10(6-8)17(18)19)20-13-9(2)12(14-3)15-7-16-13/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine?
N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-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,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80870457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).