2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde

C19H16N2O2 — CID 172651179

IUPAC2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
SMILESCc1ncc(-c2cc(OCc3ccccc3)ccc2C=O)cn1
InChIInChI=1S/C19H16N2O2/c1-14-20-10-17(11-21-14)19-9-18(8-7-16(19)12-22)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyGZOVKRDTZFQZFA-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.84
Rot. Bonds5

About 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde

2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde (PubChem CID 172651179) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
PubChem CID172651179
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde
SMILESCc1ncc(-c2cc(OCc3ccccc3)ccc2C=O)cn1
InChIInChI=1S/C19H16N2O2/c1-14-20-10-17(11-21-14)19-9-18(8-7-16(19)12-22)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3
InChIKeyGZOVKRDTZFQZFA-UHFFFAOYSA-N
XLogP3.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.84
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-(2-methylpropoxy)-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651184
2-naphthalen-2-yl-4-phenylmethoxybenzaldehyde
CID 172649681
2-[4-(difluoromethyl)phenyl]-4-phenylmethoxybenzaldehyde
CID 172651345
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
2-methyl-5-phenylmethoxypyrimidine
CID 59993103
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
3-methyl-5-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 170838715
2-hydroxy-3-(4-phenylmethoxyphenyl)benzaldehyde
CID 53220652
2-(3-methylbut-2-enoxy)-4-phenylmethoxybenzaldehyde
CID 56605246
4-(2-methylpropoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
CID 172651475
2-azido-5-phenylmethoxybenzaldehyde
CID 150841101
2-[4-(difluoromethyl)phenyl]-5-phenylmethoxybenzaldehyde
CID 172651354

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde?
The IUPAC name of 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde (CID 172651179) is 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde.
What is the SMILES notation for 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde?
The canonical SMILES for 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde is Cc1ncc(-c2cc(OCc3ccccc3)ccc2C=O)cn1.
What is the InChIKey of 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde?
The InChIKey is GZOVKRDTZFQZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-14-20-10-17(11-21-14)19-9-18(8-7-16(19)12-22)23-13-15-5-3-2-4-6-15/h2-12H,13H2,1H3.
What are the key properties of 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde?
2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde has a molecular weight of 304.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-5-yl)-4-phenylmethoxybenzaldehyde is sourced from PubChem (CID 172651179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).