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

C16H19BrFN5O — CID 155941992

IUPAC4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(F)c(OCC2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C16H19BrFN5O/c1-10-14(18)15(22-11(2)21-10)24-9-12-3-5-23(6-4-12)16-19-7-13(17)8-20-16/h7-8,12H,3-6,9H2,1-2H3
InChIKeyJQACNKHVKCEXNT-UHFFFAOYSA-N
MW396.26 g/mol
LogP3.08
Rot. Bonds4

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

4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine (PubChem CID 155941992) has the molecular formula C16H19BrFN5O and a molecular weight of 396.26 g/mol. Its IUPAC name is 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
PubChem CID155941992
Molecular FormulaC16H19BrFN5O
Molecular Weight396.26 g/mol
Exact Mass395.08
IUPAC Name4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
SMILESCc1nc(C)c(F)c(OCC2CCN(c3ncc(Br)cn3)CC2)n1
InChIInChI=1S/C16H19BrFN5O/c1-10-14(18)15(22-11(2)21-10)24-9-12-3-5-23(6-4-12)16-19-7-13(17)8-20-16/h7-8,12H,3-6,9H2,1-2H3
InChIKeyJQACNKHVKCEXNT-UHFFFAOYSA-N
XLogP3.08
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-2,5,6-trimethylpyrimidine
CID 155798676
4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
CID 155798510
5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 155798571
6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 155798498
2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 155798471
3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
CID 155798596
2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine
CID 163356630
N-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 63873038
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313
4-[4-[(2,5,6-trimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 155798985
2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane
CID 143925097
1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63873022

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine?
The IUPAC name of 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine (CID 155941992) is 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine is Cc1nc(C)c(F)c(OCC2CCN(c3ncc(Br)cn3)CC2)n1.
What is the InChIKey of 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine?
The InChIKey is JQACNKHVKCEXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN5O/c1-10-14(18)15(22-11(2)21-10)24-9-12-3-5-23(6-4-12)16-19-7-13(17)8-20-16/h7-8,12H,3-6,9H2,1-2H3.
What are the key properties of 4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine?
4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine has a molecular weight of 396.26 g/mol, XLogP of 3.08, 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]-5-fluoro-2,6-dimethylpyrimidine is sourced from PubChem (CID 155941992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).