methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate

C14H20N4O3 — CID 166365642

IUPACmethyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(C)CN(c2nc(N)c3c(n2)COC3)C[C@@H]1C
InChIInChI=1S/C14H20N4O3/c1-8-4-18(7-14(8,2)12(19)20-3)13-16-10-6-21-5-9(10)11(15)17-13/h8H,4-7H2,1-3H3,(H2,15,16,17)/t8-,14-/m0/s1
InChIKeyTUTHBKLZEPPEDY-RTHLEPHNSA-N
MW292.34 g/mol
LogP0.72
Rot. Bonds2

About methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate

methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate (PubChem CID 166365642) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate
PubChem CID166365642
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Namemethyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(C)CN(c2nc(N)c3c(n2)COC3)C[C@@H]1C
InChIInChI=1S/C14H20N4O3/c1-8-4-18(7-14(8,2)12(19)20-3)13-16-10-6-21-5-9(10)11(15)17-13/h8H,4-7H2,1-3H3,(H2,15,16,17)/t8-,14-/m0/s1
InChIKeyTUTHBKLZEPPEDY-RTHLEPHNSA-N
XLogP0.72
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate (CID 166365642) is methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate is COC(=O)[C@@]1(C)CN(c2nc(N)c3c(n2)COC3)C[C@@H]1C.
What is the InChIKey of methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate?
The InChIKey is TUTHBKLZEPPEDY-RTHLEPHNSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-8-4-18(7-14(8,2)12(19)20-3)13-16-10-6-21-5-9(10)11(15)17-13/h8H,4-7H2,1-3H3,(H2,15,16,17)/t8-,14-/m0/s1.
What are the key properties of methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate?
methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-1-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-3,4-dimethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 166365642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).