4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine

C13H11Cl2N3O3 — CID 63736070

IUPAC4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H11Cl2N3O3/c1-7(2)11-12(15)16-6-17-13(11)21-10-4-3-8(18(19)20)5-9(10)14/h3-7H,1-2H3
InChIKeyWQWIHJWYPYHISV-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.61
Rot. Bonds4

About 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine

4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine (PubChem CID 63736070) has the molecular formula C13H11Cl2N3O3 and a molecular weight of 328.16 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
PubChem CID63736070
Molecular FormulaC13H11Cl2N3O3
Molecular Weight328.16 g/mol
Exact Mass327.02
IUPAC Name4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1Oc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H11Cl2N3O3/c1-7(2)11-12(15)16-6-17-13(11)21-10-4-3-8(18(19)20)5-9(10)14/h3-7H,1-2H3
InChIKeyWQWIHJWYPYHISV-UHFFFAOYSA-N
XLogP4.61
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.61
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'}

Analyze 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(2-chloro-4-nitrophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80921197
4-chloro-6-(3-fluoro-4-nitrophenoxy)-5-propan-2-ylpyrimidine
CID 63734023
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
CID 55229855
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
2-chloro-1-(2,4-dichlorophenoxy)-4-nitrobenzene
CID 2726875
1-[5-(2-chloro-4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125212
2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
2-bromo-6-(2-chloro-4-nitrophenoxy)pyridine
CID 63963412
[6-(2-chloro-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920687
2-[4-(2-chloro-4-nitrophenoxy)phenoxy]propanoic acid
CID 70626116
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine (CID 63736070) is 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1Oc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine?
The InChIKey is WQWIHJWYPYHISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O3/c1-7(2)11-12(15)16-6-17-13(11)21-10-4-3-8(18(19)20)5-9(10)14/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine?
4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine has a molecular weight of 328.16 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-4-nitrophenoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63736070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).