ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C15H21N3O4 — CID 20924881

IUPACethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOCCCNc1ncnc2oc(C)c(C(=O)OCC)c12
InChIInChI=1S/C15H21N3O4/c1-4-20-8-6-7-16-13-12-11(15(19)21-5-2)10(3)22-14(12)18-9-17-13/h9H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyNBCJJEUIZRBNMW-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.55
Rot. Bonds8

About ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20924881) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20924881
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nameethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOCCCNc1ncnc2oc(C)c(C(=O)OCC)c12
InChIInChI=1S/C15H21N3O4/c1-4-20-8-6-7-16-13-12-11(15(19)21-5-2)10(3)22-14(12)18-9-17-13/h9H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyNBCJJEUIZRBNMW-UHFFFAOYSA-N
XLogP2.55
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.55
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-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20924881) is ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOCCCNc1ncnc2oc(C)c(C(=O)OCC)c12.
What is the InChIKey of ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is NBCJJEUIZRBNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-4-20-8-6-7-16-13-12-11(15(19)21-5-2)10(3)22-14(12)18-9-17-13/h9H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethoxypropylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20924881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).