methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate

C12H13N3O5 — CID 60693539

IUPACmethyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1c(C)oc2nc[nH]c(=O)c12
InChIInChI=1S/C12H13N3O5/c1-5(12(18)19-3)15-10(17)7-6(2)20-11-8(7)9(16)13-4-14-11/h4-5H,1-3H3,(H,15,17)(H,13,14,16)
InChIKeyYSCNVIDNXAGCRM-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.12
Rot. Bonds3

About methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate

methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate (PubChem CID 60693539) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate
PubChem CID60693539
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Namemethyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1c(C)oc2nc[nH]c(=O)c12
InChIInChI=1S/C12H13N3O5/c1-5(12(18)19-3)15-10(17)7-6(2)20-11-8(7)9(16)13-4-14-11/h4-5H,1-3H3,(H,15,17)(H,13,14,16)
InChIKeyYSCNVIDNXAGCRM-UHFFFAOYSA-N
XLogP0.12
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate (CID 60693539) is methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1c(C)oc2nc[nH]c(=O)c12.
What is the InChIKey of methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate?
The InChIKey is YSCNVIDNXAGCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-5(12(18)19-3)15-10(17)7-6(2)20-11-8(7)9(16)13-4-14-11/h4-5H,1-3H3,(H,15,17)(H,13,14,16).
What are the key properties of methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate?
methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate has a molecular weight of 279.25 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]propanoate is sourced from PubChem (CID 60693539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).