[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate

C11H13N5O3 — CID 25316797

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate
SMILESCN(C)c1nc(N)nc(COC(=O)c2ccco2)n1
InChIInChI=1S/C11H13N5O3/c1-16(2)11-14-8(13-10(12)15-11)6-19-9(17)7-4-3-5-18-7/h3-5H,6H2,1-2H3,(H2,12,13,14,15)
InChIKeySXKBEZSQJVOOCJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.47
Rot. Bonds4

About [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate (PubChem CID 25316797) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate
PubChem CID25316797
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate
SMILESCN(C)c1nc(N)nc(COC(=O)c2ccco2)n1
InChIInChI=1S/C11H13N5O3/c1-16(2)11-14-8(13-10(12)15-11)6-19-9(17)7-4-3-5-18-7/h3-5H,6H2,1-2H3,(H2,12,13,14,15)
InChIKeySXKBEZSQJVOOCJ-UHFFFAOYSA-N
XLogP0.47
TPSA107.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 46658754
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-fluoro-2-methylbenzoate
CID 37237945
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CID 30661314
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 17416416
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-methyl-4-nitrobenzoate
CID 41478164
[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
CID 4534837
[3-(furan-2-carbonyloxymethyl)-2,4,6-trimethylphenyl]methyl furan-2-carboxylate
CID 7891692
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 30657196
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 25462028
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 41477143
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(azepan-1-ylsulfonyl)benzoate
CID 55458738
bromomethyl furan-2-carboxylate
CID 54363056

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate (CID 25316797) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate is CN(C)c1nc(N)nc(COC(=O)c2ccco2)n1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate?
The InChIKey is SXKBEZSQJVOOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-16(2)11-14-8(13-10(12)15-11)6-19-9(17)7-4-3-5-18-7/h3-5H,6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate has a molecular weight of 263.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate is sourced from PubChem (CID 25316797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).