4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide

C16H16N6O3 — CID 44520939

IUPAC4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide
SMILESCOCc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)n1
InChIInChI=1S/C16H16N6O3/c1-24-9-11-5-2-4-10(19-11)8-18-15(23)14-20-13(21-16(17)22-14)12-6-3-7-25-12/h2-7H,8-9H2,1H3,(H,18,23)(H2,17,20,21,22)
InChIKeyAUBIOACYLHNVOM-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.19
Rot. Bonds6

About 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide

4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide (PubChem CID 44520939) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide
PubChem CID44520939
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide
SMILESCOCc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)n1
InChIInChI=1S/C16H16N6O3/c1-24-9-11-5-2-4-10(19-11)8-18-15(23)14-20-13(21-16(17)22-14)12-6-3-7-25-12/h2-7H,8-9H2,1H3,(H,18,23)(H2,17,20,21,22)
InChIKeyAUBIOACYLHNVOM-UHFFFAOYSA-N
XLogP1.19
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide (CID 44520939) is 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide is COCc1cccc(CNC(=O)c2nc(N)nc(-c3ccco3)n2)n1.
What is the InChIKey of 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide?
The InChIKey is AUBIOACYLHNVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c1-24-9-11-5-2-4-10(19-11)8-18-15(23)14-20-13(21-16(17)22-14)12-6-3-7-25-12/h2-7H,8-9H2,1H3,(H,18,23)(H2,17,20,21,22).
What are the key properties of 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide?
4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(furan-2-yl)-N-[[6-(methoxymethyl)-2-pyridinyl]methyl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 44520939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).