N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C18H28N6O — CID 45238574

IUPACN,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(C)CCc2noc(C(C)C)n2)n1
InChIInChI=1S/C18H28N6O/c1-12(2)18-22-16(23-25-18)7-9-24(4)17-10-15(20-13(3)21-17)14-6-5-8-19-11-14/h10,12,14,19H,5-9,11H2,1-4H3
InChIKeyLZVOMGBKGHMCRJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.44
Rot. Bonds6

About N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 45238574) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID45238574
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(C2CCCNC2)cc(N(C)CCc2noc(C(C)C)n2)n1
InChIInChI=1S/C18H28N6O/c1-12(2)18-22-16(23-25-18)7-9-24(4)17-10-15(20-13(3)21-17)14-6-5-8-19-11-14/h10,12,14,19H,5-9,11H2,1-4H3
InChIKeyLZVOMGBKGHMCRJ-UHFFFAOYSA-N
XLogP2.44
TPSA79.97 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 45238574) is N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(C2CCCNC2)cc(N(C)CCc2noc(C(C)C)n2)n1.
What is the InChIKey of N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is LZVOMGBKGHMCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-12(2)18-22-16(23-25-18)7-9-24(4)17-10-15(20-13(3)21-17)14-6-5-8-19-11-14/h10,12,14,19H,5-9,11H2,1-4H3.
What are the key properties of N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-piperidin-3-yl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 45238574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).