5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine

C13H14N4O4 — CID 103202408

IUPAC5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O4/c1-3-9-12(14)15-7-16-13(9)21-8-4-5-11(20-2)10(6-8)17(18)19/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeySSFPQIWWBJTRNB-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.33
Rot. Bonds5

About 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine

5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine (PubChem CID 103202408) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
PubChem CID103202408
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C13H14N4O4/c1-3-9-12(14)15-7-16-13(9)21-8-4-5-11(20-2)10(6-8)17(18)19/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeySSFPQIWWBJTRNB-UHFFFAOYSA-N
XLogP2.33
TPSA113.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202406
6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107501817
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
4-ethyl-5-fluoro-6-(3-methoxy-4-nitrophenoxy)pyrimidine
CID 122145633
6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107719391
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745155
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine (CID 103202408) is 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine is CCc1c(N)ncnc1Oc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is SSFPQIWWBJTRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-3-9-12(14)15-7-16-13(9)21-8-4-5-11(20-2)10(6-8)17(18)19/h4-7H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine?
5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 290.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 103202408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).