4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde

C13H12N2O — CID 172651197

IUPAC4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
SMILESCc1ncc(-c2cc(C=O)ccc2C)cn1
InChIInChI=1S/C13H12N2O/c1-9-3-4-11(8-16)5-13(9)12-6-14-10(2)15-7-12/h3-8H,1-2H3
InChIKeyDUOAKWSXOMIEIY-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.57
Rot. Bonds2

About 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde

4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde (PubChem CID 172651197) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
PubChem CID172651197
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde
SMILESCc1ncc(-c2cc(C=O)ccc2C)cn1
InChIInChI=1S/C13H12N2O/c1-9-3-4-11(8-16)5-13(9)12-6-14-10(2)15-7-12/h3-8H,1-2H3
InChIKeyDUOAKWSXOMIEIY-UHFFFAOYSA-N
XLogP2.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Phenylpyrimidine-5-carbaldehyde
CID 820135
(2,4-Dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2554447
Anti-infective agent 3
CID 162668092
2-(5-Pyrimidinyl)benzaldehyde
CID 3807860
N,N-dimethyl-4-[4-[(3-methylphenyl)methylamino]pyrimidin-5-yl]benzamide
CID 3235026
N,N-dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 3235276
(2,5-Dimethylphenyl)[4-(2-pyrimidinyl)-1-piperazinyl]methanone
CID 2110630
2-(Naphthalen-1-yl)pyrimidine-5-carbaldehyde
CID 26183385
5-(4-Formylphenyl)pyrimidine
CID 3861212
2-Benzoylpyrimidine
CID 10352351
N,N-dimethyl-4-[4-(methylamino)pyrimidin-5-yl]benzamide
CID 3233561
4-(Pyrimidin-5-ylethynyl)benzaldehyde
CID 16731744

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde?
The IUPAC name of 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde (CID 172651197) is 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde.
What is the SMILES notation for 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde?
The canonical SMILES for 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde is Cc1ncc(-c2cc(C=O)ccc2C)cn1.
What is the InChIKey of 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde?
The InChIKey is DUOAKWSXOMIEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-9-3-4-11(8-16)5-13(9)12-6-14-10(2)15-7-12/h3-8H,1-2H3.
What are the key properties of 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde?
4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpyrimidin-5-yl)benzaldehyde is sourced from PubChem (CID 172651197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).