4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide

C14H12N6O2 — CID 44520937

IUPAC4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide
SMILESNc1nc(C(=O)NCc2ccncc2)nc(-c2ccco2)n1
InChIInChI=1S/C14H12N6O2/c15-14-19-11(10-2-1-7-22-10)18-12(20-14)13(21)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,21)(H2,15,18,19,20)
InChIKeyHOVBRZHJQAGWFD-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.04
Rot. Bonds4

About 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide

4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide (PubChem CID 44520937) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide
PubChem CID44520937
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide
SMILESNc1nc(C(=O)NCc2ccncc2)nc(-c2ccco2)n1
InChIInChI=1S/C14H12N6O2/c15-14-19-11(10-2-1-7-22-10)18-12(20-14)13(21)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,21)(H2,15,18,19,20)
InChIKeyHOVBRZHJQAGWFD-UHFFFAOYSA-N
XLogP1.04
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide (CID 44520937) is 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide is Nc1nc(C(=O)NCc2ccncc2)nc(-c2ccco2)n1.
What is the InChIKey of 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide?
The InChIKey is HOVBRZHJQAGWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c15-14-19-11(10-2-1-7-22-10)18-12(20-14)13(21)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,21)(H2,15,18,19,20).
What are the key properties of 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide?
4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(furan-2-yl)-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 44520937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).