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

C16H18FN3O — CID 58281355

IUPAC2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(N(C)C)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H18FN3O/c1-10(2)14-13(9-21)15(19-16(18-14)20(3)4)11-5-7-12(17)8-6-11/h5-10H,1-4H3
InChIKeyIWCKOXRZEDGYSL-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.28
Rot. Bonds4

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

2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde (PubChem CID 58281355) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
PubChem CID58281355
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde
SMILESCC(C)c1nc(N(C)C)nc(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H18FN3O/c1-10(2)14-13(9-21)15(19-16(18-14)20(3)4)11-5-7-12(17)8-6-11/h5-10H,1-4H3
InChIKeyIWCKOXRZEDGYSL-UHFFFAOYSA-N
XLogP3.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde (CID 58281355) is 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde is CC(C)c1nc(N(C)C)nc(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
The InChIKey is IWCKOXRZEDGYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10(2)14-13(9-21)15(19-16(18-14)20(3)4)11-5-7-12(17)8-6-11/h5-10H,1-4H3.
What are the key properties of 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde?
2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde has a molecular weight of 287.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(4-fluorophenyl)-6-propan-2-ylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 58281355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).