ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C20H30N4O3 — CID 20924871

IUPACethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(NCCCN3CCCCC3CC)c12
InChIInChI=1S/C20H30N4O3/c1-4-15-9-6-7-11-24(15)12-8-10-21-18-17-16(20(25)26-5-2)14(3)27-19(17)23-13-22-18/h13,15H,4-12H2,1-3H3,(H,21,22,23)
InChIKeyUYPINSMGJIBCNQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.77
Rot. Bonds8

About ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20924871) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20924871
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Nameethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncnc(NCCCN3CCCCC3CC)c12
InChIInChI=1S/C20H30N4O3/c1-4-15-9-6-7-11-24(15)12-8-10-21-18-17-16(20(25)26-5-2)14(3)27-19(17)23-13-22-18/h13,15H,4-12H2,1-3H3,(H,21,22,23)
InChIKeyUYPINSMGJIBCNQ-UHFFFAOYSA-N
XLogP3.77
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20924871) is ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncnc(NCCCN3CCCCC3CC)c12.
What is the InChIKey of ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is UYPINSMGJIBCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-15-9-6-7-11-24(15)12-8-10-21-18-17-16(20(25)26-5-2)14(3)27-19(17)23-13-22-18/h13,15H,4-12H2,1-3H3,(H,21,22,23).
What are the key properties of ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 374.49 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-ethylpiperidin-1-yl)propylamino]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20924871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).