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

C16H24N6O — CID 77097340

IUPAC5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(Cc1cnc(N(C)C)nc1)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C16H24N6O/c1-21(2)16-17-8-12(9-18-16)10-22(3)11-14-19-15(23-20-14)13-6-4-5-7-13/h8-9,13H,4-7,10-11H2,1-3H3
InChIKeyNKZDGYQQNOEALT-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.22
Rot. Bonds6

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

5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 77097340) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine
PubChem CID77097340
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(Cc1cnc(N(C)C)nc1)Cc1noc(C2CCCC2)n1
InChIInChI=1S/C16H24N6O/c1-21(2)16-17-8-12(9-18-16)10-22(3)11-14-19-15(23-20-14)13-6-4-5-7-13/h8-9,13H,4-7,10-11H2,1-3H3
InChIKeyNKZDGYQQNOEALT-UHFFFAOYSA-N
XLogP2.22
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine (CID 77097340) is 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine is CN(Cc1cnc(N(C)C)nc1)Cc1noc(C2CCCC2)n1.
What is the InChIKey of 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is NKZDGYQQNOEALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-21(2)16-17-8-12(9-18-16)10-22(3)11-14-19-15(23-20-14)13-6-4-5-7-13/h8-9,13H,4-7,10-11H2,1-3H3.
What are the key properties of 5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine?
5-[[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 77097340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).