5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one

C12H13N3O5 — CID 79404295

IUPAC5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H13N3O5/c1-5-8(9-10(18)13-4-14-11(9)20-5)12(19)15-2-6(16)7(17)3-15/h4,6-7,16-17H,2-3H2,1H3,(H,13,14,18)/t6-,7+
InChIKeyJWYLONLPFDZFQD-KNVOCYPGSA-N
MW279.25 g/mol
LogP-1.00
Rot. Bonds1

About 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one

5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (PubChem CID 79404295) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
PubChem CID79404295
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H13N3O5/c1-5-8(9-10(18)13-4-14-11(9)20-5)12(19)15-2-6(16)7(17)3-15/h4,6-7,16-17H,2-3H2,1H3,(H,13,14,18)/t6-,7+
InChIKeyJWYLONLPFDZFQD-KNVOCYPGSA-N
XLogP-1.00
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one (CID 79404295) is 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is Cc1oc2nc[nH]c(=O)c2c1C(=O)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
The InChIKey is JWYLONLPFDZFQD-KNVOCYPGSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-5-8(9-10(18)13-4-14-11(9)20-5)12(19)15-2-6(16)7(17)3-15/h4,6-7,16-17H,2-3H2,1H3,(H,13,14,18)/t6-,7+.
What are the key properties of 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one?
5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one has a molecular weight of 279.25 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 79404295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).