4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine

C11H10N4O4 — CID 4136110

IUPAC4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine
SMILESCOc1cccc(Oc2nc(N)ncc2[N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O4/c1-18-7-3-2-4-8(5-7)19-10-9(15(16)17)6-13-11(12)14-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyVEDRVMWJCHYHNX-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.77
Rot. Bonds4

About 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine

4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine (PubChem CID 4136110) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine
PubChem CID4136110
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine
SMILESCOc1cccc(Oc2nc(N)ncc2[N+](=O)[O-])c1
InChIInChI=1S/C11H10N4O4/c1-18-7-3-2-4-8(5-7)19-10-9(15(16)17)6-13-11(12)14-10/h2-6H,1H3,(H2,12,13,14)
InChIKeyVEDRVMWJCHYHNX-UHFFFAOYSA-N
XLogP1.77
TPSA113.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.77
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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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine?
The IUPAC name of 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine (CID 4136110) is 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine.
What is the SMILES notation for 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine?
The canonical SMILES for 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine is COc1cccc(Oc2nc(N)ncc2[N+](=O)[O-])c1.
What is the InChIKey of 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine?
The InChIKey is VEDRVMWJCHYHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-18-7-3-2-4-8(5-7)19-10-9(15(16)17)6-13-11(12)14-10/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine?
4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine has a molecular weight of 262.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 4136110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).