4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine

C11H9ClN4O4 — CID 78916228

IUPAC4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H9ClN4O4/c1-19-8-4-6(16(17)18)2-3-7(8)20-10-5-9(12)14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyKQFRRSSQYJDTNC-UHFFFAOYSA-N
MW296.67 g/mol
LogP2.42
Rot. Bonds4

About 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine

4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine (PubChem CID 78916228) has the molecular formula C11H9ClN4O4 and a molecular weight of 296.67 g/mol. Its IUPAC name is 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
PubChem CID78916228
Molecular FormulaC11H9ClN4O4
Molecular Weight296.67 g/mol
Exact Mass296.03
IUPAC Name4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
SMILESCOc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)nc(N)n1
InChIInChI=1S/C11H9ClN4O4/c1-19-8-4-6(16(17)18)2-3-7(8)20-10-5-9(12)14-11(13)15-10/h2-5H,1H3,(H2,13,14,15)
InChIKeyKQFRRSSQYJDTNC-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

4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225
2-chloro-6-(2-methoxy-4-nitrophenoxy)pyrazine
CID 62111115
2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine
CID 63961925
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
3-chloro-5-(2-methoxy-4-nitrophenoxy)pyridine;ethane
CID 143108320
2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80938897
6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80871675
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
CID 114837726
[2-chloro-6-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110298
4-chloro-6-(2,6-dibromo-4-nitrophenoxy)pyrimidin-2-amine
CID 80740183
4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine
CID 113305652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine (CID 78916228) is 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine is COc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine?
The InChIKey is KQFRRSSQYJDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O4/c1-19-8-4-6(16(17)18)2-3-7(8)20-10-5-9(12)14-11(13)15-10/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine?
4-chloro-6-(2-methoxy-4-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 4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine is sourced from PubChem (CID 78916228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).