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

C11H9ClN4O3 — CID 80873761

IUPAC6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Oc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c1-6-10(13)14-5-15-11(6)19-9-4-7(12)2-3-8(9)16(17)18/h2-5H,1H3,(H2,13,14,15)
InChIKeyNCPVYQLAPMWKDC-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.72
Rot. Bonds3

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

6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80873761) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine
PubChem CID80873761
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)ncnc1Oc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H9ClN4O3/c1-6-10(13)14-5-15-11(6)19-9-4-7(12)2-3-8(9)16(17)18/h2-5H,1H3,(H2,13,14,15)
InChIKeyNCPVYQLAPMWKDC-UHFFFAOYSA-N
XLogP2.72
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80873099
5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
6-(5-chloro-2-nitrophenoxy)-2-ethyl-5-methylpyrimidin-4-amine
CID 80991124
4-chloro-5-(chloromethyl)-6-(5-chloro-2-nitrophenoxy)pyrimidine
CID 107088337
6-(2-bromo-5-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 103013798
1-(5-chloro-2-nitrophenoxy)-4-methyl-2-nitrobenzene
CID 133389386
4-(5-chloro-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80873875
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
6-(5-chloro-2-nitrophenoxy)-N-ethylpyrimidin-4-amine
CID 80872389
2-chloro-6-(5-chloro-2-nitrophenoxy)pyridine
CID 63587633
3-(5-chloro-2-nitrophenoxy)aniline
CID 113316446

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine (CID 80873761) is 6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine is Cc1c(N)ncnc1Oc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is NCPVYQLAPMWKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-6-10(13)14-5-15-11(6)19-9-4-7(12)2-3-8(9)16(17)18/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine?
6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 280.67 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80873761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).