[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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Related Compounds

azepan-1-yl-[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 35184700
4-(furan-2-yl)-2-methyl-6-(pyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 134085846
azepan-1-yl-[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 1113770
[3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
CID 1113767
2-amino-6-(furan-2-yl)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 11737091
2-amino-N-benzyl-6-(furan-2-yl)-N-methylpyrimidine-4-carboxamide
CID 59022943
2-amino-6-(furan-2-yl)-N-[(3-propyl-2,4-dihydroimidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 91064332
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
azepan-1-yl(furan-2-yl)methanone
CID 5200992
2-amino-6-(furan-2-yl)-N-(3-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 11197188
1,4-diazepan-1-yl-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119417177
N-[4-(4-chlorophenyl)-6-(furan-2-yl)-2-(piperidine-1-carbonyl)thieno[2,3-b]pyridin-3-yl]acetamide
CID 11754873

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).