4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde

C15H15ClN2O2 — CID 144700486

IUPAC4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde
SMILESCOc1cc(C=O)cc(CCc2cnc(C)nc2)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-17-7-11(8-18-10)3-4-13-5-12(9-19)6-14(20-2)15(13)16/h5-9H,3-4H2,1-2H3
InChIKeyQXEZYSMBVKBEBG-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.04
Rot. Bonds5

About 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde

4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde (PubChem CID 144700486) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde.

Molecular Properties

Compound Name4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde
PubChem CID144700486
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde
SMILESCOc1cc(C=O)cc(CCc2cnc(C)nc2)c1Cl
InChIInChI=1S/C15H15ClN2O2/c1-10-17-7-11(8-18-10)3-4-13-5-12(9-19)6-14(20-2)15(13)16/h5-9H,3-4H2,1-2H3
InChIKeyQXEZYSMBVKBEBG-UHFFFAOYSA-N
XLogP3.04
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-methoxy-5-[(E)-2-(2-methylpyrimidin-5-yl)ethenyl]benzaldehyde;methoxymethane
CID 144700540
3,4-dichloro-5-methoxybenzaldehyde
CID 21483929
3-[(5-chloro-2-pyridinyl)sulfanylmethyl]-4-methoxybenzaldehyde
CID 60778668
3-ethyl-4,5-dimethoxybenzaldehyde
CID 88965998
3,4-dimethoxy-5-(methoxymethyl)benzaldehyde
CID 117275838
4-[[4-[(4-formyl-2,6-dimethoxyphenoxy)methyl]-2,5-dimethoxyphenyl]methoxy]-3,5-dimethoxybenzaldehyde
CID 21037530
4-chloro-3-methoxy-N-methyl-5-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]ethyl]benzamide
CID 85469322
4-[(2-chlorophenyl)methoxy]-3,5-dimethoxybenzaldehyde
CID 580684
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812
3,4-dimethoxy-5-[2-(methylamino)ethyl]benzaldehyde
CID 117320008
3-methoxy-4-(methoxymethoxy)-5-methylbenzaldehyde
CID 89120820
4-iodo-3,5-dimethoxybenzaldehyde
CID 11300800

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde?
The IUPAC name of 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde (CID 144700486) is 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde.
What is the SMILES notation for 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde?
The canonical SMILES for 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde is COc1cc(C=O)cc(CCc2cnc(C)nc2)c1Cl.
What is the InChIKey of 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde?
The InChIKey is QXEZYSMBVKBEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10-17-7-11(8-18-10)3-4-13-5-12(9-19)6-14(20-2)15(13)16/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde?
4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde has a molecular weight of 290.75 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-5-[2-(2-methylpyrimidin-5-yl)ethyl]benzaldehyde is sourced from PubChem (CID 144700486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).