(3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

C15H19N5O2 — CID 97364772

IUPAC(3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCc1nnc(C[C@@H]2COC[C@H]3CN(c4ncccn4)C[C@@H]23)o1
InChIInChI=1S/C15H19N5O2/c1-10-18-19-14(22-10)5-11-8-21-9-12-6-20(7-13(11)12)15-16-3-2-4-17-15/h2-4,11-13H,5-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyMECOBMXOZMLVNG-UPJWGTAASA-N
MW301.35 g/mol
LogP1.11
Rot. Bonds3

About (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole

(3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (PubChem CID 97364772) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
PubChem CID97364772
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
SMILESCc1nnc(C[C@@H]2COC[C@H]3CN(c4ncccn4)C[C@@H]23)o1
InChIInChI=1S/C15H19N5O2/c1-10-18-19-14(22-10)5-11-8-21-9-12-6-20(7-13(11)12)15-16-3-2-4-17-15/h2-4,11-13H,5-9H2,1H3/t11-,12-,13+/m1/s1
InChIKeyMECOBMXOZMLVNG-UPJWGTAASA-N
XLogP1.11
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole with MolForge

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Related Compounds

(3aR,7S,7aS)-2-(6-methoxypyrimidin-4-yl)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97950090
(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(5-fluoropyrimidin-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97475674
2-Methyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-1,3,4-oxadiazole
CID 22017593
2-[(3aR,7S,7aS)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N,N-dimethylacetamide
CID 97364727
2-[(3aR,7S,7aS)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97364739
2-[(3aR,7S,7aS)-2-pyrimidin-4-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-pyrrolidin-1-ylethanone
CID 97364741
(3aR,7S,7aS)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97364747
(3aR,6R,7aR)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97387388
[(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyrimidin-2-ylmethanone
CID 97474589
(3R,3aS,6aS)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97483101
(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97485750
2-[(3aR,7S,7aS)-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-methylacetamide
CID 98811008

Frequently Asked Questions

What is the IUPAC name of (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The IUPAC name of (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole (CID 97364772) is (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole.
What is the SMILES notation for (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The canonical SMILES for (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is Cc1nnc(C[C@@H]2COC[C@H]3CN(c4ncccn4)C[C@@H]23)o1.
What is the InChIKey of (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
The InChIKey is MECOBMXOZMLVNG-UPJWGTAASA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-18-19-14(22-10)5-11-8-21-9-12-6-20(7-13(11)12)15-16-3-2-4-17-15/h2-4,11-13H,5-9H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole?
(3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole has a molecular weight of 301.35 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7S,7aS)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyrimidin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole is sourced from PubChem (CID 97364772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).