4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol

C17H21F2N5O — CID 75470946

IUPAC4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol
SMILESCN(C)c1nccc(N2CCN(Cc3cc(F)c(O)c(F)c3)CC2)n1
InChIInChI=1S/C17H21F2N5O/c1-22(2)17-20-4-3-15(21-17)24-7-5-23(6-8-24)11-12-9-13(18)16(25)14(19)10-12/h3-4,9-10,25H,5-8,11H2,1-2H3
InChIKeyOFNADCAZNKBWDB-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.85
Rot. Bonds4

About 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol

4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol (PubChem CID 75470946) has the molecular formula C17H21F2N5O and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol
PubChem CID75470946
Molecular FormulaC17H21F2N5O
Molecular Weight349.39 g/mol
Exact Mass349.17
IUPAC Name4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol
SMILESCN(C)c1nccc(N2CCN(Cc3cc(F)c(O)c(F)c3)CC2)n1
InChIInChI=1S/C17H21F2N5O/c1-22(2)17-20-4-3-15(21-17)24-7-5-23(6-8-24)11-12-9-13(18)16(25)14(19)10-12/h3-4,9-10,25H,5-8,11H2,1-2H3
InChIKeyOFNADCAZNKBWDB-UHFFFAOYSA-N
XLogP1.85
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol with MolForge

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Related Compounds

N,N-dimethyl-4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 154575829
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]butan-2-ol
CID 111442513
N,N-dimethyl-4-[4-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166284237
4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64829856
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77053306
4-(4-benzylpiperazin-1-yl)-N-ethyl-N-phenylpyrimidin-2-amine
CID 112896283
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 154829661
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-4-pyrrolidin-1-ylpyrimidine
CID 154580953
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-5-fluorobenzonitrile
CID 171334386
1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 56794216
4-[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 99792009

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol?
The IUPAC name of 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol (CID 75470946) is 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol is CN(C)c1nccc(N2CCN(Cc3cc(F)c(O)c(F)c3)CC2)n1.
What is the InChIKey of 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol?
The InChIKey is OFNADCAZNKBWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O/c1-22(2)17-20-4-3-15(21-17)24-7-5-23(6-8-24)11-12-9-13(18)16(25)14(19)10-12/h3-4,9-10,25H,5-8,11H2,1-2H3.
What are the key properties of 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol?
4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol has a molecular weight of 349.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]methyl]-2,6-difluorophenol is sourced from PubChem (CID 75470946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).