1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide

C10H14FN5O — CID 70976895

IUPAC1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(N)ncc2F)C1
InChIInChI=1S/C10H14FN5O/c11-7-4-14-10(13)15-9(7)16-3-1-2-6(5-16)8(12)17/h4,6H,1-3,5H2,(H2,12,17)(H2,13,14,15)
InChIKeyZTBLLHQNMGKPCT-UHFFFAOYSA-N
MW239.25 g/mol
LogP-0.10
Rot. Bonds2

About 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide

1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 70976895) has the molecular formula C10H14FN5O and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID70976895
Molecular FormulaC10H14FN5O
Molecular Weight239.25 g/mol
Exact Mass239.12
IUPAC Name1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2nc(N)ncc2F)C1
InChIInChI=1S/C10H14FN5O/c11-7-4-14-10(13)15-9(7)16-3-1-2-6(5-16)8(12)17/h4,6H,1-3,5H2,(H2,12,17)(H2,13,14,15)
InChIKeyZTBLLHQNMGKPCT-UHFFFAOYSA-N
XLogP-0.10
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide (CID 70976895) is 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2nc(N)ncc2F)C1.
What is the InChIKey of 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is ZTBLLHQNMGKPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5O/c11-7-4-14-10(13)15-9(7)16-3-1-2-6(5-16)8(12)17/h4,6H,1-3,5H2,(H2,12,17)(H2,13,14,15).
What are the key properties of 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide?
1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 239.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoropyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 70976895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).