5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

C19H28N6O2 — CID 77085262

IUPAC5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1cnc(NCC2CCCO2)nc1)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C19H28N6O2/c1-25(13-17-23-18(27-24-17)15-5-2-3-6-15)12-14-9-20-19(21-10-14)22-11-16-7-4-8-26-16/h9-10,15-16H,2-8,11-13H2,1H3,(H,20,21,22)
InChIKeyOALIMMKENVMGSV-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.74
Rot. Bonds8

About 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine

5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (PubChem CID 77085262) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
PubChem CID77085262
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
SMILESCN(Cc1cnc(NCC2CCCO2)nc1)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C19H28N6O2/c1-25(13-17-23-18(27-24-17)15-5-2-3-6-15)12-14-9-20-19(21-10-14)22-11-16-7-4-8-26-16/h9-10,15-16H,2-8,11-13H2,1H3,(H,20,21,22)
InChIKeyOALIMMKENVMGSV-UHFFFAOYSA-N
XLogP2.74
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine (CID 77085262) is 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is CN(Cc1cnc(NCC2CCCO2)nc1)Cc1noc(C2CCCC2)n1.
What is the InChIKey of 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is OALIMMKENVMGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-25(13-17-23-18(27-24-17)15-5-2-3-6-15)12-14-9-20-19(21-10-14)22-11-16-7-4-8-26-16/h9-10,15-16H,2-8,11-13H2,1H3,(H,20,21,22).
What are the key properties of 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine?
5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 372.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N-(oxolan-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 77085262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).