ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate

C18H20N4O6 — CID 38980863

IUPACethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3cc(C(C)C)no3)c(=O)c12
InChIInChI=1S/C18H20N4O6/c1-5-26-18(25)14-10(4)27-16-15(14)17(24)22(8-19-16)7-12(23)20-13-6-11(9(2)3)21-28-13/h6,8-9H,5,7H2,1-4H3,(H,20,23)
InChIKeyOODRHNMRABDCDN-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.22
Rot. Bonds6

About ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 38980863) has the molecular formula C18H20N4O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID38980863
Molecular FormulaC18H20N4O6
Molecular Weight388.38 g/mol
Exact Mass388.14
IUPAC Nameethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3cc(C(C)C)no3)c(=O)c12
InChIInChI=1S/C18H20N4O6/c1-5-26-18(25)14-10(4)27-16-15(14)17(24)22(8-19-16)7-12(23)20-13-6-11(9(2)3)21-28-13/h6,8-9H,5,7H2,1-4H3,(H,20,23)
InChIKeyOODRHNMRABDCDN-UHFFFAOYSA-N
XLogP2.22
TPSA129.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 38980863) is ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncn(CC(=O)Nc3cc(C(C)C)no3)c(=O)c12.
What is the InChIKey of ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is OODRHNMRABDCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6/c1-5-26-18(25)14-10(4)27-16-15(14)17(24)22(8-19-16)7-12(23)20-13-6-11(9(2)3)21-28-13/h6,8-9H,5,7H2,1-4H3,(H,20,23).
What are the key properties of ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 388.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 38980863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).