4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine

C14H14ClN3O3 — CID 80938633

IUPAC4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
SMILESCCc1ccc(Oc2cc(Cl)nc(CC)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14ClN3O3/c1-3-9-5-6-11(10(7-9)18(19)20)21-14-8-12(15)16-13(4-2)17-14/h5-8H,3-4H2,1-2H3
InChIKeyILZGKUDQOLPUCP-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.96
Rot. Bonds5

About 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine

4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine (PubChem CID 80938633) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
PubChem CID80938633
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
SMILESCCc1ccc(Oc2cc(Cl)nc(CC)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14ClN3O3/c1-3-9-5-6-11(10(7-9)18(19)20)21-14-8-12(15)16-13(4-2)17-14/h5-8H,3-4H2,1-2H3
InChIKeyILZGKUDQOLPUCP-UHFFFAOYSA-N
XLogP3.96
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-chloro-2-ethyl-6-(4-methyl-2-nitrophenoxy)pyrimidine
CID 80944763
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-3-nitrobenzonitrile
CID 80938626
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
CID 102760998
4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80876755
4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80925193
N-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrazin-2-amine
CID 80871590
6-(4-bromo-2-nitrophenoxy)-2-ethyl-N-methylpyrimidin-4-amine
CID 80939103
4-chloro-6-(4-ethyl-2-methoxyphenoxy)-2-(methoxymethyl)pyrimidine
CID 107664612
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
4-chloro-2-[(4-methoxy-3-nitrophenyl)methyl]-6-methylpyrimidine chloride
CID 53351995
4-chloro-2-ethyl-5-methyl-6-(4-methyl-2-nitrophenoxy)pyrimidine
CID 80974397

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine (CID 80938633) is 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine is CCc1ccc(Oc2cc(Cl)nc(CC)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine?
The InChIKey is ILZGKUDQOLPUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-3-9-5-6-11(10(7-9)18(19)20)21-14-8-12(15)16-13(4-2)17-14/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine?
4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine has a molecular weight of 307.74 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine is sourced from PubChem (CID 80938633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).