6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine

C12H12N4O4 — CID 102703887

IUPAC6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])c(Oc2cc(N)nc(C)n2)c1
InChIInChI=1S/C12H12N4O4/c1-7-14-11(13)6-12(15-7)20-10-5-8(19-2)3-4-9(10)16(17)18/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyDIRPKGJHCITLML-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.08
Rot. Bonds4

About 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine

6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine (PubChem CID 102703887) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine
PubChem CID102703887
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])c(Oc2cc(N)nc(C)n2)c1
InChIInChI=1S/C12H12N4O4/c1-7-14-11(13)6-12(15-7)20-10-5-8(19-2)3-4-9(10)16(17)18/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyDIRPKGJHCITLML-UHFFFAOYSA-N
XLogP2.08
TPSA113.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.08
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

2-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875828
6-(2,5-dimethyl-4-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80879991
6-(4-bromo-2-nitrophenoxy)-2-methylpyrimidin-4-amine
CID 80876831
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771
4-(5-methoxy-2-nitrophenoxy)pyridin-2-amine
CID 102703861
4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 102703874
2-(5-methoxy-2-nitrophenoxy)-6-methylpyrimidine-4-carbonitrile
CID 107546076
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
1-[5-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]ethanol
CID 102702826
[4-(5-methoxy-2-nitrophenoxy)-2-pyridinyl]hydrazine
CID 102703909
2-(2,4-dibromophenoxy)-4-methoxy-1-nitrobenzene
CID 18406541
3-methoxy-4-(5-methoxy-2-nitrophenoxy)phenol
CID 163522418

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine (CID 102703887) is 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine is COc1ccc([N+](=O)[O-])c(Oc2cc(N)nc(C)n2)c1.
What is the InChIKey of 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine?
The InChIKey is DIRPKGJHCITLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-7-14-11(13)6-12(15-7)20-10-5-8(19-2)3-4-9(10)16(17)18/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine?
6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine has a molecular weight of 276.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 102703887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).