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

C16H23BrN6O — CID 171328359

IUPAC5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCC(C)c1noc(CN2CCC(N(C)c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C16H23BrN6O/c1-11(2)15-20-14(24-21-15)10-23-6-4-13(5-7-23)22(3)16-18-8-12(17)9-19-16/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyHFTRDVKOPOWTPN-UHFFFAOYSA-N
MW395.31 g/mol
LogP2.85
Rot. Bonds5

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

5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 171328359) has the molecular formula C16H23BrN6O and a molecular weight of 395.31 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID171328359
Molecular FormulaC16H23BrN6O
Molecular Weight395.31 g/mol
Exact Mass394.11
IUPAC Name5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCC(C)c1noc(CN2CCC(N(C)c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C16H23BrN6O/c1-11(2)15-20-14(24-21-15)10-23-6-4-13(5-7-23)22(3)16-18-8-12(17)9-19-16/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyHFTRDVKOPOWTPN-UHFFFAOYSA-N
XLogP2.85
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328197
5-bromo-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328196
5-bromo-N-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328275
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43556709
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
5-[[4-(difluoromethyl)piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 166603058
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328148
N-methyl-N-phenyl-2-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 43065538
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 79867470
5-bromo-N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328422
[(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 129367833
N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 24649063

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine (CID 171328359) is 5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is CC(C)c1noc(CN2CCC(N(C)c3ncc(Br)cn3)CC2)n1.
What is the InChIKey of 5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is HFTRDVKOPOWTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN6O/c1-11(2)15-20-14(24-21-15)10-23-6-4-13(5-7-23)22(3)16-18-8-12(17)9-19-16/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine?
5-bromo-N-methyl-N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 395.31 g/mol, XLogP of 2.85, 5 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-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 171328359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).