2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine

C18H28N6O — CID 56721519

IUPAC2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine
SMILESCc1nc(CCN)cc(N2CCCC(c3nc(CC(C)C)no3)C2)n1
InChIInChI=1S/C18H28N6O/c1-12(2)9-16-22-18(25-23-16)14-5-4-8-24(11-14)17-10-15(6-7-19)20-13(3)21-17/h10,12,14H,4-9,11,19H2,1-3H3
InChIKeyPMWNYAPNOIVGTO-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.25
Rot. Bonds6

About 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine

2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine (PubChem CID 56721519) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine
PubChem CID56721519
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine
SMILESCc1nc(CCN)cc(N2CCCC(c3nc(CC(C)C)no3)C2)n1
InChIInChI=1S/C18H28N6O/c1-12(2)9-16-22-18(25-23-16)14-5-4-8-24(11-14)17-10-15(6-7-19)20-13(3)21-17/h10,12,14H,4-9,11,19H2,1-3H3
InChIKeyPMWNYAPNOIVGTO-UHFFFAOYSA-N
XLogP2.25
TPSA93.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-5-[6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 70751985
3-(2-methylpropyl)-5-[(3S)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 95893895
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 95227905
3-[[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56900896
5-[(3R)-1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 95307695
5-[1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidin-3-yl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 131925191
5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124755014
4-ethyl-2-methyl-6-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pyrimidine
CID 133460499
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 133472763
2-[6-[(2R)-2-ethylpiperidin-1-yl]-2-methylpyrimidin-4-yl]ethanamine
CID 95218180
2-[[(3R)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95143538
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine (CID 56721519) is 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine is Cc1nc(CCN)cc(N2CCCC(c3nc(CC(C)C)no3)C2)n1.
What is the InChIKey of 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine?
The InChIKey is PMWNYAPNOIVGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-12(2)9-16-22-18(25-23-16)14-5-4-8-24(11-14)17-10-15(6-7-19)20-13(3)21-17/h10,12,14H,4-9,11,19H2,1-3H3.
What are the key properties of 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine?
2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine has a molecular weight of 344.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 56721519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).