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

C16H15N5O3 — CID 44520934

IUPAC4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(N)nc(-c2ccco2)n1
InChIInChI=1S/C16H15N5O3/c1-23-11-6-3-2-5-10(11)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)
InChIKeySVNKUTHNUMDRJT-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.65
Rot. Bonds5

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

4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide (PubChem CID 44520934) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide
PubChem CID44520934
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1nc(N)nc(-c2ccco2)n1
InChIInChI=1S/C16H15N5O3/c1-23-11-6-3-2-5-10(11)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21)
InChIKeySVNKUTHNUMDRJT-UHFFFAOYSA-N
XLogP1.65
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.65
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-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide (CID 44520934) is 4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide is COc1ccccc1CNC(=O)c1nc(N)nc(-c2ccco2)n1.
What is the InChIKey of 4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide?
The InChIKey is SVNKUTHNUMDRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-23-11-6-3-2-5-10(11)9-18-15(22)14-19-13(20-16(17)21-14)12-7-4-8-24-12/h2-8H,9H2,1H3,(H,18,22)(H2,17,19,20,21).
What are the key properties of 4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide?
4-amino-6-(furan-2-yl)-N-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide has a molecular weight of 325.33 g/mol, XLogP of 1.65, 5 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-[(2-methoxyphenyl)methyl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 44520934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).