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

C12H11ClN4O3 — CID 107719391

IUPAC6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H11ClN4O3/c1-2-7-11(14)15-6-16-12(7)20-10-8(13)4-3-5-9(10)17(18)19/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyYXTYVFLCHGEGFI-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.98
Rot. Bonds4

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

6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine (PubChem CID 107719391) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
PubChem CID107719391
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H11ClN4O3/c1-2-7-11(14)15-6-16-12(7)20-10-8(13)4-3-5-9(10)17(18)19/h3-6H,2H2,1H3,(H2,14,15,16)
InChIKeyYXTYVFLCHGEGFI-UHFFFAOYSA-N
XLogP2.98
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.98
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-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107501817
4-chloro-5-ethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63735054
4-chloro-6-(2-fluoro-6-nitrophenoxy)-5-propylpyrimidine
CID 104831666
5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202408
5-methyl-6-(2-methyl-3-nitrophenoxy)pyrimidin-4-amine
CID 80875823
2-chloro-3-(2-chloro-6-nitrophenoxy)-5,6-dimethylpyrazine
CID 107716558
4-chloro-5-(chloromethyl)-6-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089174
6-(2-chloro-6-nitrophenoxy)-N-methylpyrimidin-4-amine
CID 107719344
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-one
CID 107717066
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
3-[(2-chloro-6-nitrophenoxy)methyl]pentan-3-ol
CID 103931748
3-[(2-chloro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 107718707

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine (CID 107719391) is 6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1Oc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine?
The InChIKey is YXTYVFLCHGEGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-2-7-11(14)15-6-16-12(7)20-10-8(13)4-3-5-9(10)17(18)19/h3-6H,2H2,1H3,(H2,14,15,16).
What are the key properties of 6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine?
6-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine has a molecular weight of 294.70 g/mol, XLogP of 2.98, 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)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 107719391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).