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

C18H29N7O — CID 72839381

IUPAC4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CCC(N(C)Cc3noc(C)n3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H29N7O/c1-6-14-11-17(21-18(20-14)23(3)4)25-9-7-15(8-10-25)24(5)12-16-19-13(2)26-22-16/h11,15H,6-10,12H2,1-5H3
InChIKeyFQDAQLHTEIUWCD-UHFFFAOYSA-N
MW359.48 g/mol
LogP1.90
Rot. Bonds6

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

4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 72839381) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
PubChem CID72839381
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine
SMILESCCc1cc(N2CCC(N(C)Cc3noc(C)n3)CC2)nc(N(C)C)n1
InChIInChI=1S/C18H29N7O/c1-6-14-11-17(21-18(20-14)23(3)4)25-9-7-15(8-10-25)24(5)12-16-19-13(2)26-22-16/h11,15H,6-10,12H2,1-5H3
InChIKeyFQDAQLHTEIUWCD-UHFFFAOYSA-N
XLogP1.90
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine (CID 72839381) is 4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine is CCc1cc(N2CCC(N(C)Cc3noc(C)n3)CC2)nc(N(C)C)n1.
What is the InChIKey of 4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is FQDAQLHTEIUWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-6-14-11-17(21-18(20-14)23(3)4)25-9-7-15(8-10-25)24(5)12-16-19-13(2)26-22-16/h11,15H,6-10,12H2,1-5H3.
What are the key properties of 4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine?
4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 359.48 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-6-[4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72839381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).