1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde

C10H13FN4O — CID 134198142

IUPAC1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESNc1ncnc(N2CCC(C=O)CC2)c1F
InChIInChI=1S/C10H13FN4O/c11-8-9(12)13-6-14-10(8)15-3-1-7(5-16)2-4-15/h5-7H,1-4H2,(H2,12,13,14)
InChIKeyQUIKBAIHZITMSK-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.61
Rot. Bonds2

About 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde

1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde (PubChem CID 134198142) has the molecular formula C10H13FN4O and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
PubChem CID134198142
Molecular FormulaC10H13FN4O
Molecular Weight224.24 g/mol
Exact Mass224.11
IUPAC Name1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde
SMILESNc1ncnc(N2CCC(C=O)CC2)c1F
InChIInChI=1S/C10H13FN4O/c11-8-9(12)13-6-14-10(8)15-3-1-7(5-16)2-4-15/h5-7H,1-4H2,(H2,12,13,14)
InChIKeyQUIKBAIHZITMSK-UHFFFAOYSA-N
XLogP0.61
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde?
The IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde (CID 134198142) is 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde.
What is the SMILES notation for 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde?
The canonical SMILES for 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde is Nc1ncnc(N2CCC(C=O)CC2)c1F.
What is the InChIKey of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde?
The InChIKey is QUIKBAIHZITMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O/c11-8-9(12)13-6-14-10(8)15-3-1-7(5-16)2-4-15/h5-7H,1-4H2,(H2,12,13,14).
What are the key properties of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde?
1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde has a molecular weight of 224.24 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carbaldehyde is sourced from PubChem (CID 134198142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).