4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde

C15H15FN2O — CID 58193893

IUPAC4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCc1nc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1
InChIInChI=1S/C15H15FN2O/c1-9(2)14-13(8-19)15(18-10(3)17-14)11-4-6-12(16)7-5-11/h4-9H,1-3H3
InChIKeyVKZRYKHDFDVMOG-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.53
Rot. Bonds3

About 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde

4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde (PubChem CID 58193893) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde
PubChem CID58193893
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCc1nc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1
InChIInChI=1S/C15H15FN2O/c1-9(2)14-13(8-19)15(18-10(3)17-14)11-4-6-12(16)7-5-11/h4-9H,1-3H3
InChIKeyVKZRYKHDFDVMOG-UHFFFAOYSA-N
XLogP3.53
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde (CID 58193893) is 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde is Cc1nc(-c2ccc(F)cc2)c(C=O)c(C(C)C)n1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is VKZRYKHDFDVMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9(2)14-13(8-19)15(18-10(3)17-14)11-4-6-12(16)7-5-11/h4-9H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde?
4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 258.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-6-propan-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 58193893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).