6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine

C13H16N4O — CID 126848519

IUPAC6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine
SMILESc1nc(NC2CCCNC2)cc(-c2ccoc2)n1
InChIInChI=1S/C13H16N4O/c1-2-11(7-14-4-1)17-13-6-12(15-9-16-13)10-3-5-18-8-10/h3,5-6,8-9,11,14H,1-2,4,7H2,(H,15,16,17)
InChIKeyJZAFZSCGQLPRRJ-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.90
Rot. Bonds3

About 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine

6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine (PubChem CID 126848519) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine
PubChem CID126848519
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine
SMILESc1nc(NC2CCCNC2)cc(-c2ccoc2)n1
InChIInChI=1S/C13H16N4O/c1-2-11(7-14-4-1)17-13-6-12(15-9-16-13)10-3-5-18-8-10/h3,5-6,8-9,11,14H,1-2,4,7H2,(H,15,16,17)
InChIKeyJZAFZSCGQLPRRJ-UHFFFAOYSA-N
XLogP1.90
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine (CID 126848519) is 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine is c1nc(NC2CCCNC2)cc(-c2ccoc2)n1.
What is the InChIKey of 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is JZAFZSCGQLPRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-11(7-14-4-1)17-13-6-12(15-9-16-13)10-3-5-18-8-10/h3,5-6,8-9,11,14H,1-2,4,7H2,(H,15,16,17).
What are the key properties of 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine?
6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 126848519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).