ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate

C19H25N3O6 — CID 91950055

IUPACethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(C)oc3ncn(CCOC)c(=O)c23)CC1
InChIInChI=1S/C19H25N3O6/c1-4-27-19(25)13-5-7-21(8-6-13)17(23)14-12(2)28-16-15(14)18(24)22(11-20-16)9-10-26-3/h11,13H,4-10H2,1-3H3
InChIKeyHYDPNQUSWOWFQV-UHFFFAOYSA-N
MW391.42 g/mol
LogP1.36
Rot. Bonds6

About ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate

ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate (PubChem CID 91950055) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
PubChem CID91950055
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Nameethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(C)oc3ncn(CCOC)c(=O)c23)CC1
InChIInChI=1S/C19H25N3O6/c1-4-27-19(25)13-5-7-21(8-6-13)17(23)14-12(2)28-16-15(14)18(24)22(11-20-16)9-10-26-3/h11,13H,4-10H2,1-3H3
InChIKeyHYDPNQUSWOWFQV-UHFFFAOYSA-N
XLogP1.36
TPSA103.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate (CID 91950055) is ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2c(C)oc3ncn(CCOC)c(=O)c23)CC1.
What is the InChIKey of ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate?
The InChIKey is HYDPNQUSWOWFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-4-27-19(25)13-5-7-21(8-6-13)17(23)14-12(2)28-16-15(14)18(24)22(11-20-16)9-10-26-3/h11,13H,4-10H2,1-3H3.
What are the key properties of ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate?
ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate has a molecular weight of 391.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 91950055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).