ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate

C16H21N3O3 — CID 20925009

IUPACethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(N3CCCCC3)c12
InChIInChI=1S/C16H21N3O3/c1-4-21-16(20)12-10(2)22-15-13(12)14(17-11(3)18-15)19-8-6-5-7-9-19/h4-9H2,1-3H3
InChIKeyHRGZMQHKEQKKHV-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.01
Rot. Bonds3

About ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20925009) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20925009
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nameethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(N3CCCCC3)c12
InChIInChI=1S/C16H21N3O3/c1-4-21-16(20)12-10(2)22-15-13(12)14(17-11(3)18-15)19-8-6-5-7-9-19/h4-9H2,1-3H3
InChIKeyHRGZMQHKEQKKHV-UHFFFAOYSA-N
XLogP3.01
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20925009) is ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(C)nc(N3CCCCC3)c12.
What is the InChIKey of ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is HRGZMQHKEQKKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-21-16(20)12-10(2)22-15-13(12)14(17-11(3)18-15)19-8-6-5-7-9-19/h4-9H2,1-3H3.
What are the key properties of ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20925009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).