4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile

C11H13N5O2 — CID 70992636

IUPAC4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile
SMILESCCOc1nc(C#N)nc(NCC2CC=CO2)n1
InChIInChI=1S/C11H13N5O2/c1-2-17-11-15-9(6-12)14-10(16-11)13-7-8-4-3-5-18-8/h3,5,8H,2,4,7H2,1H3,(H,13,14,15,16)
InChIKeyUSMRXOOCSCDQAL-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.86
Rot. Bonds5

About 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile

4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile (PubChem CID 70992636) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile
PubChem CID70992636
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile
SMILESCCOc1nc(C#N)nc(NCC2CC=CO2)n1
InChIInChI=1S/C11H13N5O2/c1-2-17-11-15-9(6-12)14-10(16-11)13-7-8-4-3-5-18-8/h3,5,8H,2,4,7H2,1H3,(H,13,14,15,16)
InChIKeyUSMRXOOCSCDQAL-UHFFFAOYSA-N
XLogP0.86
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 89167772
2-N-[2-(2,3-dihydrofuran-2-yl)ethyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 163475235

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile (CID 70992636) is 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile is CCOc1nc(C#N)nc(NCC2CC=CO2)n1.
What is the InChIKey of 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile?
The InChIKey is USMRXOOCSCDQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-2-17-11-15-9(6-12)14-10(16-11)13-7-8-4-3-5-18-8/h3,5,8H,2,4,7H2,1H3,(H,13,14,15,16).
What are the key properties of 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile?
4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile has a molecular weight of 247.26 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydrofuran-2-ylmethylamino)-6-ethoxy-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 70992636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).