5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine

C19H26BrN5O — CID 171327084

IUPAC5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCOc1c(C)cnc(CN2CCC(N(C)c3ncc(Br)cn3)CC2)c1C
InChIInChI=1S/C19H26BrN5O/c1-13-9-21-17(14(2)18(13)26-4)12-25-7-5-16(6-8-25)24(3)19-22-10-15(20)11-23-19/h9-11,16H,5-8,12H2,1-4H3
InChIKeyGILAQGNQAWUMRZ-UHFFFAOYSA-N
MW420.36 g/mol
LogP3.36
Rot. Bonds5

About 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine

5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 171327084) has the molecular formula C19H26BrN5O and a molecular weight of 420.36 g/mol. Its IUPAC name is 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID171327084
Molecular FormulaC19H26BrN5O
Molecular Weight420.36 g/mol
Exact Mass419.13
IUPAC Name5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCOc1c(C)cnc(CN2CCC(N(C)c3ncc(Br)cn3)CC2)c1C
InChIInChI=1S/C19H26BrN5O/c1-13-9-21-17(14(2)18(13)26-4)12-25-7-5-16(6-8-25)24(3)19-22-10-15(20)11-23-19/h9-11,16H,5-8,12H2,1-4H3
InChIKeyGILAQGNQAWUMRZ-UHFFFAOYSA-N
XLogP3.36
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine with MolForge

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Related Compounds

N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N,5-dimethylpyrimidin-2-amine
CID 155980410
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide
CID 95326720
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]ethanol
CID 103655825
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119917723
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 80691461
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]morpholine
CID 171130228
2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide
CID 86970774
2,6-dichloro-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyridine-4-carboxamide
CID 86887959
5-bromo-N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328196

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine (CID 171327084) is 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine is COc1c(C)cnc(CN2CCC(N(C)c3ncc(Br)cn3)CC2)c1C.
What is the InChIKey of 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is GILAQGNQAWUMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrN5O/c1-13-9-21-17(14(2)18(13)26-4)12-25-7-5-16(6-8-25)24(3)19-22-10-15(20)11-23-19/h9-11,16H,5-8,12H2,1-4H3.
What are the key properties of 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 420.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 171327084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).