ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate

C18H26N4O3 — CID 46280360

IUPACethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(NCCN3CCC(C)CC3)c12
InChIInChI=1S/C18H26N4O3/c1-4-24-18(23)14-13(3)25-17-15(14)16(20-11-21-17)19-7-10-22-8-5-12(2)6-9-22/h11-12H,4-10H2,1-3H3,(H,19,20,21)
InChIKeyOLEBNEZNLVIHRR-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.85
Rot. Bonds6

About ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 46280360) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID46280360
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nameethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(NCCN3CCC(C)CC3)c12
InChIInChI=1S/C18H26N4O3/c1-4-24-18(23)14-13(3)25-17-15(14)16(20-11-21-17)19-7-10-22-8-5-12(2)6-9-22/h11-12H,4-10H2,1-3H3,(H,19,20,21)
InChIKeyOLEBNEZNLVIHRR-UHFFFAOYSA-N
XLogP2.85
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate (CID 46280360) is ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(NCCN3CCC(C)CC3)c12.
What is the InChIKey of ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is OLEBNEZNLVIHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-24-18(23)14-13(3)25-17-15(14)16(20-11-21-17)19-7-10-22-8-5-12(2)6-9-22/h11-12H,4-10H2,1-3H3,(H,19,20,21).
What are the key properties of ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-[2-(4-methylpiperidin-1-yl)ethylamino]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 46280360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).