(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

C15H19N5O3 — CID 124808751

IUPAC(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
SMILESCOc1cc(N2CC[C@@H]3O[C@H](c4nnc(C)o4)CC[C@@H]32)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-19-15(22-9)12-4-3-10-11(23-12)5-6-20(10)13-7-14(21-2)17-8-16-13/h7-8,10-12H,3-6H2,1-2H3/t10-,11-,12-/m0/s1
InChIKeyMJPCLHMXVDNYRY-SRVKXCTJSA-N
MW317.35 g/mol
LogP1.68
Rot. Bonds3

About (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

(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 (PubChem CID 124808751) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124808751
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(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
SMILESCOc1cc(N2CC[C@@H]3O[C@H](c4nnc(C)o4)CC[C@@H]32)ncn1
InChIInChI=1S/C15H19N5O3/c1-9-18-19-15(22-9)12-4-3-10-11(23-12)5-6-20(10)13-7-14(21-2)17-8-16-13/h7-8,10-12H,3-6H2,1-2H3/t10-,11-,12-/m0/s1
InChIKeyMJPCLHMXVDNYRY-SRVKXCTJSA-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 (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 with MolForge

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Launch Full Analysis

Related Compounds

(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
(3aR,5R,7aR)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364959
(3aR,5S,7aR)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97950107
(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
(2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124794071
(3aS,5S,7aS)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124810883
(2S,3aR,7aR)-5-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 133143285

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(N2CC[C@@H]3O[C@H](c4nnc(C)o4)CC[C@@H]32)ncn1.
What is the InChIKey of (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?
The InChIKey is MJPCLHMXVDNYRY-SRVKXCTJSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-18-19-15(22-9)12-4-3-10-11(23-12)5-6-20(10)13-7-14(21-2)17-8-16-13/h7-8,10-12H,3-6H2,1-2H3/t10-,11-,12-/m0/s1.
What are the key properties of (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?
(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 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 (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 is sourced from PubChem (CID 124808751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).