2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde

C12H10ClN3O2 — CID 87405593

IUPAC2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde
SMILESCc1ccc(Oc2ncnc(Cl)c2N)c(C=O)c1
InChIInChI=1S/C12H10ClN3O2/c1-7-2-3-9(8(4-7)5-17)18-12-10(14)11(13)15-6-16-12/h2-6H,14H2,1H3
InChIKeyHOKHNPBEJJSXJG-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.63
Rot. Bonds3

About 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde

2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde (PubChem CID 87405593) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde.

Molecular Properties

Compound Name2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde
PubChem CID87405593
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde
SMILESCc1ccc(Oc2ncnc(Cl)c2N)c(C=O)c1
InChIInChI=1S/C12H10ClN3O2/c1-7-2-3-9(8(4-7)5-17)18-12-10(14)11(13)15-6-16-12/h2-6H,14H2,1H3
InChIKeyHOKHNPBEJJSXJG-UHFFFAOYSA-N
XLogP2.63
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(2-chloro-5-methylphenoxy)pyrimidin-5-amine
CID 60726041
4-chloro-6-(2-chlorophenoxy)pyrimidin-5-amine
CID 46172362
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
CID 143820051
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316
4-chloro-6-(2-chloro-5-methylphenoxy)-5-nitropyrimidine
CID 62101505
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
2-(3-chloroprop-2-enoxy)-5-methylbenzaldehyde
CID 77011402
2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde
CID 114276745
4-chloro-6-(2,4-dimethylphenoxy)-5-propan-2-ylpyrimidine
CID 63736592
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde?
The IUPAC name of 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde (CID 87405593) is 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde.
What is the SMILES notation for 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde?
The canonical SMILES for 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde is Cc1ccc(Oc2ncnc(Cl)c2N)c(C=O)c1.
What is the InChIKey of 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde?
The InChIKey is HOKHNPBEJJSXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-2-3-9(8(4-7)5-17)18-12-10(14)11(13)15-6-16-12/h2-6H,14H2,1H3.
What are the key properties of 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde?
2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde has a molecular weight of 263.68 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-chloropyrimidin-4-yl)oxy-5-methylbenzaldehyde is sourced from PubChem (CID 87405593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).