(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

C14H17N5O2 — CID 124810883

IUPAC(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
SMILESCc1nnc([C@@H]2CC[C@H]3[C@H](CCN3c3ncccn3)O2)o1
InChIInChI=1S/C14H17N5O2/c1-9-17-18-13(20-9)12-4-3-10-11(21-12)5-8-19(10)14-15-6-2-7-16-14/h2,6-7,10-12H,3-5,8H2,1H3/t10-,11-,12-/m0/s1
InChIKeyUZOYCJDSQRKRJQ-SRVKXCTJSA-N
MW287.32 g/mol
LogP1.67
Rot. Bonds2

About (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

(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 (PubChem CID 124810883) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID124810883
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(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
SMILESCc1nnc([C@@H]2CC[C@H]3[C@H](CCN3c3ncccn3)O2)o1
InChIInChI=1S/C14H17N5O2/c1-9-17-18-13(20-9)12-4-3-10-11(21-12)5-8-19(10)14-15-6-2-7-16-14/h2,6-7,10-12H,3-5,8H2,1H3/t10-,11-,12-/m0/s1
InChIKeyUZOYCJDSQRKRJQ-SRVKXCTJSA-N
XLogP1.67
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 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,5S,7aR)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97408219
2-[[(3aS,5S,7aS)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-N,N-dimethylacetamide
CID 97460586
2-[[(3aS,5R,7aS)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97460606
2-[[(3aS,7aS)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 127021119
(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 133139647
(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,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,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
2-[[(3aS,5S,7aS)-1-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97460607
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nnc([C@@H]2CC[C@H]3[C@H](CCN3c3ncccn3)O2)o1.
What is the InChIKey of (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?
The InChIKey is UZOYCJDSQRKRJQ-SRVKXCTJSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-17-18-13(20-9)12-4-3-10-11(21-12)5-8-19(10)14-15-6-2-7-16-14/h2,6-7,10-12H,3-5,8H2,1H3/t10-,11-,12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 287.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 124810883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).