5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine

C14H19BrN6O — CID 171328197

IUPAC5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1nc(CN2CCC(N(C)c3ncc(Br)cn3)CC2)no1
InChIInChI=1S/C14H19BrN6O/c1-10-18-13(19-22-10)9-21-5-3-12(4-6-21)20(2)14-16-7-11(15)8-17-14/h7-8,12H,3-6,9H2,1-2H3
InChIKeyOPPRNRDRHSIZRW-UHFFFAOYSA-N
MW367.25 g/mol
LogP2.03
Rot. Bonds4

About 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine

5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 171328197) has the molecular formula C14H19BrN6O and a molecular weight of 367.25 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID171328197
Molecular FormulaC14H19BrN6O
Molecular Weight367.25 g/mol
Exact Mass366.08
IUPAC Name5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCc1nc(CN2CCC(N(C)c3ncc(Br)cn3)CC2)no1
InChIInChI=1S/C14H19BrN6O/c1-10-18-13(19-22-10)9-21-5-3-12(4-6-21)20(2)14-16-7-11(15)8-17-14/h7-8,12H,3-6,9H2,1-2H3
InChIKeyOPPRNRDRHSIZRW-UHFFFAOYSA-N
XLogP2.03
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (CID 171328197) is 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is Cc1nc(CN2CCC(N(C)c3ncc(Br)cn3)CC2)no1.
What is the InChIKey of 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is OPPRNRDRHSIZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6O/c1-10-18-13(19-22-10)9-21-5-3-12(4-6-21)20(2)14-16-7-11(15)8-17-14/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 367.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 171328197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).