2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide

C11H16FN5O — CID 70976813

IUPAC2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C11H16FN5O/c12-8-6-15-11(14)16-10(8)17-3-1-7(2-4-17)5-9(13)18/h6-7H,1-5H2,(H2,13,18)(H2,14,15,16)
InChIKeyLQFLBSCYLYJEDT-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.29
Rot. Bonds3

About 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide

2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 70976813) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID70976813
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C11H16FN5O/c12-8-6-15-11(14)16-10(8)17-3-1-7(2-4-17)5-9(13)18/h6-7H,1-5H2,(H2,13,18)(H2,14,15,16)
InChIKeyLQFLBSCYLYJEDT-UHFFFAOYSA-N
XLogP0.29
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide (CID 70976813) is 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2nc(N)ncc2F)CC1.
What is the InChIKey of 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is LQFLBSCYLYJEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c12-8-6-15-11(14)16-10(8)17-3-1-7(2-4-17)5-9(13)18/h6-7H,1-5H2,(H2,13,18)(H2,14,15,16).
What are the key properties of 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide?
2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 253.28 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 70976813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).