N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine

C14H16N4O3 — CID 80878598

IUPACN-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(Oc2cccc([N+](=O)[O-])c2)c1C
InChIInChI=1S/C14H16N4O3/c1-4-15-13-9(2)14(17-10(3)16-13)21-12-7-5-6-11(8-12)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyRIADRPGQXXSFDA-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.23
Rot. Bonds5

About N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine

N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80878598) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine
PubChem CID80878598
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine
SMILESCCNc1nc(C)nc(Oc2cccc([N+](=O)[O-])c2)c1C
InChIInChI=1S/C14H16N4O3/c1-4-15-13-9(2)14(17-10(3)16-13)21-12-7-5-6-11(8-12)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyRIADRPGQXXSFDA-UHFFFAOYSA-N
XLogP3.23
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.23
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

5-methyl-6-(3-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80878595
6-(3,5-dimethylphenoxy)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 80870359
5-chloro-N-ethyl-4-(3-nitrophenoxy)pyrimidin-2-amine
CID 80871947
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
3-[[3,5-difluoro-4-methyl-6-(3-nitrophenoxy)-2-pyridinyl]oxy]benzonitrile
CID 11025383
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
N-ethyl-2,5-dimethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80882702
2-chloro-5-methyl-4-(3-nitrophenoxy)pyrimidine
CID 79076239
N-ethyl-6-(3-iodophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989119
(3-nitrophenyl) N-ethylcarbamate
CID 57143264
4,6-dimethyl-2-(3-nitrophenoxy)pyridine-3-carboxylic acid
CID 60677891

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine (CID 80878598) is N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine is CCNc1nc(C)nc(Oc2cccc([N+](=O)[O-])c2)c1C.
What is the InChIKey of N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is RIADRPGQXXSFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-4-15-13-9(2)14(17-10(3)16-13)21-12-7-5-6-11(8-12)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine?
N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethyl-6-(3-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80878598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).