4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile

C10H12FN5O — CID 59744038

IUPAC4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile
SMILESN#CN1CCC(Oc2ncc(F)c(N)n2)CC1
InChIInChI=1S/C10H12FN5O/c11-8-5-14-10(15-9(8)13)17-7-1-3-16(6-12)4-2-7/h5,7H,1-4H2,(H2,13,14,15)
InChIKeyNBNQKQAFDPYADT-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.52
Rot. Bonds2

About 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile

4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile (PubChem CID 59744038) has the molecular formula C10H12FN5O and a molecular weight of 237.24 g/mol. Its IUPAC name is 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile.

Molecular Properties

Compound Name4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile
PubChem CID59744038
Molecular FormulaC10H12FN5O
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile
SMILESN#CN1CCC(Oc2ncc(F)c(N)n2)CC1
InChIInChI=1S/C10H12FN5O/c11-8-5-14-10(15-9(8)13)17-7-1-3-16(6-12)4-2-7/h5,7H,1-4H2,(H2,13,14,15)
InChIKeyNBNQKQAFDPYADT-UHFFFAOYSA-N
XLogP0.52
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile?
The IUPAC name of 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile (CID 59744038) is 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile.
What is the SMILES notation for 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile?
The canonical SMILES for 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile is N#CN1CCC(Oc2ncc(F)c(N)n2)CC1.
What is the InChIKey of 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile?
The InChIKey is NBNQKQAFDPYADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O/c11-8-5-14-10(15-9(8)13)17-7-1-3-16(6-12)4-2-7/h5,7H,1-4H2,(H2,13,14,15).
What are the key properties of 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile?
4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile has a molecular weight of 237.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonitrile is sourced from PubChem (CID 59744038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).