(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

C14H17N5O2 — CID 97387388

IUPAC(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
SMILESCc1nnc([C@@H]2C[C@H]3OCC[C@H]3N(c3ncccn3)C2)o1
InChIInChI=1S/C14H17N5O2/c1-9-17-18-13(21-9)10-7-12-11(3-6-20-12)19(8-10)14-15-4-2-5-16-14/h2,4-5,10-12H,3,6-8H2,1H3/t10-,11-,12-/m1/s1
InChIKeyODDUYUDCRKDRGN-IJLUTSLNSA-N
MW287.32 g/mol
LogP1.32
Rot. Bonds2

About (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

(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 (PubChem CID 97387388) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID97387388
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(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
SMILESCc1nnc([C@@H]2C[C@H]3OCC[C@H]3N(c3ncccn3)C2)o1
InChIInChI=1S/C14H17N5O2/c1-9-17-18-13(21-9)10-7-12-11(3-6-20-12)19(8-10)14-15-4-2-5-16-14/h2,4-5,10-12H,3,6-8H2,1H3/t10-,11-,12-/m1/s1
InChIKeyODDUYUDCRKDRGN-IJLUTSLNSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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,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
(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-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97387346
(3aR,6S,7aR)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97388018
(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
(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
(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
(3aS,6S,7aS)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-4-pyrimidin-2-yl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 133136573
(3aS,6S,7aS)-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 133140657
(1S,3aS,7aS)-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 133141790
N-[(1S,3R)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]cyclopentyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 137971175

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nnc([C@@H]2C[C@H]3OCC[C@H]3N(c3ncccn3)C2)o1.
What is the InChIKey of (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?
The InChIKey is ODDUYUDCRKDRGN-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-17-18-13(21-9)10-7-12-11(3-6-20-12)19(8-10)14-15-4-2-5-16-14/h2,4-5,10-12H,3,6-8H2,1H3/t10-,11-,12-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 287.32 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 97387388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).