5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine

C11H9ClN4O4 — CID 103202398

IUPAC5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
SMILESCOc1ccc(Oc2nc(N)ncc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O4/c1-19-9-3-2-6(4-8(9)16(17)18)20-10-7(12)5-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyKFTGDBBLMYHMMU-UHFFFAOYSA-N
MW296.67 g/mol
LogP2.42
Rot. Bonds4

About 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine

5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine (PubChem CID 103202398) has the molecular formula C11H9ClN4O4 and a molecular weight of 296.67 g/mol. Its IUPAC name is 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
PubChem CID103202398
Molecular FormulaC11H9ClN4O4
Molecular Weight296.67 g/mol
Exact Mass296.03
IUPAC Name5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
SMILESCOc1ccc(Oc2nc(N)ncc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O4/c1-19-9-3-2-6(4-8(9)16(17)18)20-10-7(12)5-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyKFTGDBBLMYHMMU-UHFFFAOYSA-N
XLogP2.42
TPSA113.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.67
LogP ≤ 52.42
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-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-amine
CID 80870955
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
[5-chloro-4-(4-methoxy-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911443
4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202386
5-chloro-4-(2,5-dimethyl-4-nitrophenoxy)pyrimidin-2-amine
CID 80880830
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202406
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202408
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
4-(2-bromo-5-nitrophenoxy)-5-chloropyrimidin-2-amine
CID 103013780

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine (CID 103202398) is 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine is COc1ccc(Oc2nc(N)ncc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is KFTGDBBLMYHMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O4/c1-19-9-3-2-6(4-8(9)16(17)18)20-10-7(12)5-14-11(13)15-10/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine?
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine has a molecular weight of 296.67 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 103202398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).