3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole

C15H20N6O2 — CID 125173621

IUPAC3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole
SMILESCc1nonc1N1CCN(c2cc([C@H]3CCOC3)ncn2)CC1
InChIInChI=1S/C15H20N6O2/c1-11-15(19-23-18-11)21-5-3-20(4-6-21)14-8-13(16-10-17-14)12-2-7-22-9-12/h8,10,12H,2-7,9H2,1H3/t12-/m0/s1
InChIKeyBWKFVMLUAMSBCJ-LBPRGKRZSA-N
MW316.37 g/mol
LogP1.00
Rot. Bonds3

About 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole

3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole (PubChem CID 125173621) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole
PubChem CID125173621
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole
SMILESCc1nonc1N1CCN(c2cc([C@H]3CCOC3)ncn2)CC1
InChIInChI=1S/C15H20N6O2/c1-11-15(19-23-18-11)21-5-3-20(4-6-21)14-8-13(16-10-17-14)12-2-7-22-9-12/h8,10,12H,2-7,9H2,1H3/t12-/m0/s1
InChIKeyBWKFVMLUAMSBCJ-LBPRGKRZSA-N
XLogP1.00
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole (CID 125173621) is 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole is Cc1nonc1N1CCN(c2cc([C@H]3CCOC3)ncn2)CC1.
What is the InChIKey of 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole?
The InChIKey is BWKFVMLUAMSBCJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-15(19-23-18-11)21-5-3-20(4-6-21)14-8-13(16-10-17-14)12-2-7-22-9-12/h8,10,12H,2-7,9H2,1H3/t12-/m0/s1.
What are the key properties of 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole?
3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole has a molecular weight of 316.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 125173621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).