5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine

C16H20BrN5 — CID 171328148

IUPAC5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCN(c1ncc(Br)cn1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H20BrN5/c1-21(16-19-10-13(17)11-20-16)15-5-8-22(9-6-15)12-14-4-2-3-7-18-14/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3
InChIKeyWZLPZLTYUYQGCW-UHFFFAOYSA-N
MW362.28 g/mol
LogP2.73
Rot. Bonds4

About 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine

5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 171328148) has the molecular formula C16H20BrN5 and a molecular weight of 362.28 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID171328148
Molecular FormulaC16H20BrN5
Molecular Weight362.28 g/mol
Exact Mass361.09
IUPAC Name5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
SMILESCN(c1ncc(Br)cn1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H20BrN5/c1-21(16-19-10-13(17)11-20-16)15-5-8-22(9-6-15)12-14-4-2-3-7-18-14/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3
InChIKeyWZLPZLTYUYQGCW-UHFFFAOYSA-N
XLogP2.73
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328275
5-bromo-N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328422
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
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
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328729
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
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
2-[4-[(5-bromopyrimidin-2-yl)-methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 171328145
N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328091
N-methyl-N,7-bis(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 97451205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine (CID 171328148) is 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is CN(c1ncc(Br)cn1)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is WZLPZLTYUYQGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN5/c1-21(16-19-10-13(17)11-20-16)15-5-8-22(9-6-15)12-14-4-2-3-7-18-14/h2-4,7,10-11,15H,5-6,8-9,12H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine?
5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 362.28 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 171328148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).