4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C12H15N5O — CID 618598

IUPAC4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccco2)nc(N2CCCCC2)n1
InChIInChI=1S/C12H15N5O/c13-11-14-10(9-5-4-8-18-9)15-12(16-11)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H2,13,14,15,16)
InChIKeyABCVPURJWDHKBE-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.70
Rot. Bonds2

About 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 618598) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID618598
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ccco2)nc(N2CCCCC2)n1
InChIInChI=1S/C12H15N5O/c13-11-14-10(9-5-4-8-18-9)15-12(16-11)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H2,13,14,15,16)
InChIKeyABCVPURJWDHKBE-UHFFFAOYSA-N
XLogP1.70
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 618598) is 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(-c2ccco2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ABCVPURJWDHKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-11-14-10(9-5-4-8-18-9)15-12(16-11)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H2,13,14,15,16).
What are the key properties of 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 245.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 618598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).