6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine

C12H10Cl2N4O3 — CID 107501817

IUPAC6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10Cl2N4O3/c1-2-6-11(15)16-5-17-12(6)21-10-4-8(14)7(13)3-9(10)18(19)20/h3-5H,2H2,1H3,(H2,15,16,17)
InChIKeyFAWKYELGHDHQDF-UHFFFAOYSA-N
MW329.14 g/mol
LogP3.63
Rot. Bonds4

About 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine

6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine (PubChem CID 107501817) has the molecular formula C12H10Cl2N4O3 and a molecular weight of 329.14 g/mol. Its IUPAC name is 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine
PubChem CID107501817
Molecular FormulaC12H10Cl2N4O3
Molecular Weight329.14 g/mol
Exact Mass328.01
IUPAC Name6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H10Cl2N4O3/c1-2-6-11(15)16-5-17-12(6)21-10-4-8(14)7(13)3-9(10)18(19)20/h3-5H,2H2,1H3,(H2,15,16,17)
InChIKeyFAWKYELGHDHQDF-UHFFFAOYSA-N
XLogP3.63
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 53.63
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-(2-chloro-6-nitrophenoxy)-5-ethylpyrimidin-4-amine
CID 107719391
5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202408
2-chloro-4-(4,5-dichloro-2-nitrophenoxy)-5-methylpyrimidine
CID 107499651
4-(4,5-dichloro-2-nitrophenoxy)-5-fluoropyrimidin-2-amine
CID 107501814
4-(6-chloro-5-ethylpyrimidin-4-yl)oxy-3-nitrobenzonitrile
CID 63736434
4-chloro-5-ethyl-6-(2-methyl-3-nitrophenoxy)pyrimidine
CID 63735054
6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80878189
6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 80873761
5-chloro-4-(4,5-dichloro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 107501326
6-(2-methyl-5-nitrophenoxy)-5-propylpyrimidin-4-amine
CID 80878866
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
CID 102760998

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine (CID 107501817) is 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine?
The InChIKey is FAWKYELGHDHQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O3/c1-2-6-11(15)16-5-17-12(6)21-10-4-8(14)7(13)3-9(10)18(19)20/h3-5H,2H2,1H3,(H2,15,16,17).
What are the key properties of 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine?
6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine has a molecular weight of 329.14 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dichloro-2-nitrophenoxy)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 107501817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).