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

C15H19N5O3 — CID 97364781

IUPAC(3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCOc1cc(N2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-15(23-19-9)12-4-3-10-11(22-12)5-6-20(10)13-7-14(21-2)17-8-16-13/h7-8,10-12H,3-6H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeySTWJNHXZTRTVGV-UTUOFQBUSA-N
MW317.35 g/mol
LogP1.68
Rot. Bonds3

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

(3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (PubChem CID 97364781) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
PubChem CID97364781
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCOc1cc(N2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-15(23-19-9)12-4-3-10-11(22-12)5-6-20(10)13-7-14(21-2)17-8-16-13/h7-8,10-12H,3-6H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeySTWJNHXZTRTVGV-UTUOFQBUSA-N
XLogP1.68
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

(3aR,5R,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387909
(3aR,5R,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461729
(3aR,5S,7aR)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461441
[(3aR,5R,7aR)-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 155902077
(3aR,5S,7aR)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364780
(3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97950108
(3aS,5S,7aS)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 124797532
(3aS,5R,7aS)-N-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 124797533
(3aS,5S,7aS)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124808027
(3aS,5S,7aS)-1-(6-methoxypyrimidin-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124808751

Frequently Asked Questions

What is the IUPAC name of (3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The IUPAC name of (3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (CID 97364781) is (3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.
What is the SMILES notation for (3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The canonical SMILES for (3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is COc1cc(N2CC[C@H]3O[C@H](c4nc(C)no4)CC[C@H]32)ncn1.
What is the InChIKey of (3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The InChIKey is STWJNHXZTRTVGV-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-18-15(23-19-9)12-4-3-10-11(22-12)5-6-20(10)13-7-14(21-2)17-8-16-13/h7-8,10-12H,3-6H2,1-2H3/t10-,11-,12+/m1/s1.
What are the key properties of (3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
(3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole has a molecular weight of 317.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is sourced from PubChem (CID 97364781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).