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

C11H9ClN4O3 — CID 107719344

IUPAC6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2c(Cl)cccc2[N+](=O)[O-])ncn1
InChIInChI=1S/C11H9ClN4O3/c1-13-9-5-10(15-6-14-9)19-11-7(12)3-2-4-8(11)16(17)18/h2-6H,1H3,(H,13,14,15)
InChIKeyQLDAFTKRXNJLNI-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.87
Rot. Bonds4

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

6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine (PubChem CID 107719344) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine
PubChem CID107719344
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(Oc2c(Cl)cccc2[N+](=O)[O-])ncn1
InChIInChI=1S/C11H9ClN4O3/c1-13-9-5-10(15-6-14-9)19-11-7(12)3-2-4-8(11)16(17)18/h2-6H,1H3,(H,13,14,15)
InChIKeyQLDAFTKRXNJLNI-UHFFFAOYSA-N
XLogP2.87
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.87
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

2-chloro-4-(2-chloro-6-nitrophenoxy)-6-methylpyrimidine
CID 107716661
(1S)-1-[6-(2-chloro-6-nitrophenoxy)-3-pyridinyl]ethanamine
CID 107717162
[4-(2-chloro-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 107719446
6-(4-bromo-5-fluoro-2-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 103484542
6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107719391
4-chloro-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 61277340
6-(4-chlorophenoxy)-N-methylpyrimidin-4-amine
CID 80864046
2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine
CID 107716558
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
6-(2-nitrophenoxy)-N-propylpyrimidin-4-amine
CID 80875228
(1R)-1-[2-(2-chloro-6-nitrophenoxy)-6-fluorophenyl]ethanamine
CID 107717146
N-methyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875896

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine (CID 107719344) is 6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine is CNc1cc(Oc2c(Cl)cccc2[N+](=O)[O-])ncn1.
What is the InChIKey of 6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine?
The InChIKey is QLDAFTKRXNJLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-13-9-5-10(15-6-14-9)19-11-7(12)3-2-4-8(11)16(17)18/h2-6H,1H3,(H,13,14,15).
What are the key properties of 6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine?
6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine has a molecular weight of 280.67 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 107719344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).