4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine

C17H22BrN5O — CID 155798676

IUPAC4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine
SMILESCc1nc(C)c(C)c(OCC2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C17H22BrN5O/c1-11-12(2)21-13(3)22-16(11)24-10-14-4-6-23(7-5-14)17-19-8-15(18)9-20-17/h8-9,14H,4-7,10H2,1-3H3
InChIKeyMNKUZRIVONMKMX-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.25
Rot. Bonds4

About 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine

4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine (PubChem CID 155798676) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine.

Molecular Properties

Compound Name4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine
PubChem CID155798676
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC Name4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine
SMILESCc1nc(C)c(C)c(OCC2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C17H22BrN5O/c1-11-12(2)21-13(3)22-16(11)24-10-14-4-6-23(7-5-14)17-19-8-15(18)9-20-17/h8-9,14H,4-7,10H2,1-3H3
InChIKeyMNKUZRIVONMKMX-UHFFFAOYSA-N
XLogP3.25
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
CID 155941992
2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine
CID 163356630
4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155798985
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63873038
4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
CID 155798510
2-methyl-3-[[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 155941912
5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 155798571
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022
5-bromo-2-(4-cyclopentyloxypiperidin-1-yl)pyrimidine
CID 59525009
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 106998160
6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 155798498

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine?
The IUPAC name of 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine (CID 155798676) is 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine.
What is the SMILES notation for 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine?
The canonical SMILES for 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine is Cc1nc(C)c(C)c(OCC2CCN(c3ncc(Br)cn3)CC2)n1.
What is the InChIKey of 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine?
The InChIKey is MNKUZRIVONMKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c1-11-12(2)21-13(3)22-16(11)24-10-14-4-6-23(7-5-14)17-19-8-15(18)9-20-17/h8-9,14H,4-7,10H2,1-3H3.
What are the key properties of 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine?
4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine has a molecular weight of 392.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine is sourced from PubChem (CID 155798676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).