N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine

C16H22N6O — CID 50961935

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1nc(NCCc2noc(C3CC3)n2)cc(N2CCCCC2)n1
InChIInChI=1S/C16H22N6O/c1-2-8-22(9-3-1)15-10-14(18-11-19-15)17-7-6-13-20-16(23-21-13)12-4-5-12/h10-12H,1-9H2,(H,17,18,19)
InChIKeyWYUJXKHMDQCWJQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 50961935) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID50961935
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
SMILESc1nc(NCCc2noc(C3CC3)n2)cc(N2CCCCC2)n1
InChIInChI=1S/C16H22N6O/c1-2-8-22(9-3-1)15-10-14(18-11-19-15)17-7-6-13-20-16(23-21-13)12-4-5-12/h10-12H,1-9H2,(H,17,18,19)
InChIKeyWYUJXKHMDQCWJQ-UHFFFAOYSA-N
XLogP2.38
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine with MolForge

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Related Compounds

1-((3S,4S)-4-amino-1-(6-(cyclopropylamino)pyrimidin-4-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53318987
1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53513005
1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56818845
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]cyclopropanecarboxamide
CID 71795033
5-Ethyl-3-[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72122435
5-Propan-2-yl-3-[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72122439
N-[2-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 72860419
5-Cyclopropyl-3-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 100651441
4-N-butyl-6-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidine-2,4-diamine
CID 100671048
2-{4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-YL)methyl]piperidin-1-YL}-5-fluoro-N,N-dimethylpyrimidin-4-amine
CID 72856051
N-{1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889760
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 75479414

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine (CID 50961935) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine is c1nc(NCCc2noc(C3CC3)n2)cc(N2CCCCC2)n1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is WYUJXKHMDQCWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-8-22(9-3-1)15-10-14(18-11-19-15)17-7-6-13-20-16(23-21-13)12-4-5-12/h10-12H,1-9H2,(H,17,18,19).
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 314.39 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 50961935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).