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

C12H15FN6O — CID 70976843

IUPACN-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide
SMILESN#CCC(=O)NC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C12H15FN6O/c13-9-7-16-12(15)18-11(9)19-5-2-8(3-6-19)17-10(20)1-4-14/h7-8H,1-3,5-6H2,(H,17,20)(H2,15,16,18)
InChIKeyBCGUHSCDFVTFAF-UHFFFAOYSA-N
MW278.29 g/mol
LogP0.20
Rot. Bonds3

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

N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide (PubChem CID 70976843) has the molecular formula C12H15FN6O and a molecular weight of 278.29 g/mol. Its IUPAC name is N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide
PubChem CID70976843
Molecular FormulaC12H15FN6O
Molecular Weight278.29 g/mol
Exact Mass278.13
IUPAC NameN-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide
SMILESN#CCC(=O)NC1CCN(c2nc(N)ncc2F)CC1
InChIInChI=1S/C12H15FN6O/c13-9-7-16-12(15)18-11(9)19-5-2-8(3-6-19)17-10(20)1-4-14/h7-8H,1-3,5-6H2,(H,17,20)(H2,15,16,18)
InChIKeyBCGUHSCDFVTFAF-UHFFFAOYSA-N
XLogP0.20
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide?
The IUPAC name of N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide (CID 70976843) is N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide.
What is the SMILES notation for N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide?
The canonical SMILES for N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide is N#CCC(=O)NC1CCN(c2nc(N)ncc2F)CC1.
What is the InChIKey of N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide?
The InChIKey is BCGUHSCDFVTFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6O/c13-9-7-16-12(15)18-11(9)19-5-2-8(3-6-19)17-10(20)1-4-14/h7-8H,1-3,5-6H2,(H,17,20)(H2,15,16,18).
What are the key properties of N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide?
N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide has a molecular weight of 278.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-5-fluoropyrimidin-4-yl)piperidin-4-yl]-2-cyanoacetamide is sourced from PubChem (CID 70976843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).