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

C14H12ClFN2O — CID 141264247

IUPAC2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C14H12ClFN2O/c1-8(2)12-11(7-19)13(18-14(15)17-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyLNXMAARGCHJOJK-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.87
Rot. Bonds3

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

2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde (PubChem CID 141264247) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
PubChem CID141264247
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C14H12ClFN2O/c1-8(2)12-11(7-19)13(18-14(15)17-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChIKeyLNXMAARGCHJOJK-UHFFFAOYSA-N
XLogP3.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.87
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 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde (CID 141264247) is 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde is CC(C)c1nc(Cl)nc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is LNXMAARGCHJOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8(2)12-11(7-19)13(18-14(15)17-12)9-3-5-10(16)6-4-9/h3-8H,1-2H3.
What are the key properties of 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 278.71 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 141264247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).