4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine

C14H16N4O3 — CID 80871267

IUPAC4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCCc1ccc(Oc2nc(NC)ncc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-4-10-5-6-12(11(7-10)18(19)20)21-13-9(2)8-16-14(15-3)17-13/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeySLVFDAMPSHQWCX-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.09
Rot. Bonds5

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

4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine (PubChem CID 80871267) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
PubChem CID80871267
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCCc1ccc(Oc2nc(NC)ncc2C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O3/c1-4-10-5-6-12(11(7-10)18(19)20)21-13-9(2)8-16-14(15-3)17-13/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeySLVFDAMPSHQWCX-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
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-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80873875
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80860603
N-ethyl-5-methyl-4-(5-methyl-2-nitrophenoxy)pyrimidin-2-amine
CID 80879033
4-(5-chloro-2-nitrophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80880446
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
CID 102760998
N-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrazin-2-amine
CID 80871590
4-(4-tert-butyl-2-methylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80875939
4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
CID 80938633
3-(4-ethyl-2-nitrophenoxy)pyridazine-4-carbonitrile
CID 80510784
5-chloro-N-methyl-4-(3-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80871950
4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80876755
(1R)-1-[5-(4-ethyl-2-nitrophenoxy)-2-pyridinyl]ethanamine
CID 83111625

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine (CID 80871267) is 4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine is CCc1ccc(Oc2nc(NC)ncc2C)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is SLVFDAMPSHQWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-4-10-5-6-12(11(7-10)18(19)20)21-13-9(2)8-16-14(15-3)17-13/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine?
4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80871267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).