2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde

C13H11FN2O — CID 55114856

IUPAC2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(Cc2ccccc2F)n1
InChIInChI=1S/C13H11FN2O/c1-9-6-11(8-17)16-13(15-9)7-10-4-2-3-5-12(10)14/h2-6,8H,7H2,1H3
InChIKeyUMTYLXQHIDKLRI-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.33
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde

2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde (PubChem CID 55114856) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde
PubChem CID55114856
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde
SMILESCc1cc(C=O)nc(Cc2ccccc2F)n1
InChIInChI=1S/C13H11FN2O/c1-9-6-11(8-17)16-13(15-9)7-10-4-2-3-5-12(10)14/h2-6,8H,7H2,1H3
InChIKeyUMTYLXQHIDKLRI-UHFFFAOYSA-N
XLogP2.33
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.33
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-[(2-fluorophenyl)methyl]pyrimidine-4-carbaldehyde
CID 62748248
5-fluoro-2-[(2-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 66000568
2-[(2-bromophenyl)sulfanylmethyl]-6-methylpyrimidine-4-carbaldehyde
CID 66144495
5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde
CID 131430211
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 115003601
3-[(2-fluorophenyl)methyl]-1-methylpyrazole-5-carbaldehyde
CID 115093064
N,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 55135005
2-[(2-fluorophenyl)methyl]-N,6-dipropylpyrimidin-4-amine
CID 63485042
2-[(2-fluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 62192800
2,6-dimethylpyrimidine-4-carbaldehyde
CID 22185220
[2-[(2-fluorophenyl)methyl]-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 55062115
4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614703

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde (CID 55114856) is 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde is Cc1cc(C=O)nc(Cc2ccccc2F)n1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde?
The InChIKey is UMTYLXQHIDKLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-9-6-11(8-17)16-13(15-9)7-10-4-2-3-5-12(10)14/h2-6,8H,7H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde?
2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde has a molecular weight of 230.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 55114856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).