[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone

C14H16N4O2 — CID 11173320

IUPAC[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESNc1nc(C(=O)N2CCCCC2)cc(-c2ccco2)n1
InChIInChI=1S/C14H16N4O2/c15-14-16-10(12-5-4-8-20-12)9-11(17-14)13(19)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7H2,(H2,15,16,17)
InChIKeyAFMRFKKHCICPSF-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds2

About [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone

[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 11173320) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
PubChem CID11173320
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
SMILESNc1nc(C(=O)N2CCCCC2)cc(-c2ccco2)n1
InChIInChI=1S/C14H16N4O2/c15-14-16-10(12-5-4-8-20-12)9-11(17-14)13(19)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7H2,(H2,15,16,17)
InChIKeyAFMRFKKHCICPSF-UHFFFAOYSA-N
XLogP1.94
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone (CID 11173320) is [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone is Nc1nc(C(=O)N2CCCCC2)cc(-c2ccco2)n1.
What is the InChIKey of [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is AFMRFKKHCICPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-14-16-10(12-5-4-8-20-12)9-11(17-14)13(19)18-6-2-1-3-7-18/h4-5,8-9H,1-3,6-7H2,(H2,15,16,17).
What are the key properties of [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone?
[2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 272.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(furan-2-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 11173320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).