[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol

C14H23FN4O2 — CID 131906846

IUPAC[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCOc1nc(NCCCN2CCCCC2CO)ncc1F
InChIInChI=1S/C14H23FN4O2/c1-21-13-12(15)9-17-14(18-13)16-6-4-8-19-7-3-2-5-11(19)10-20/h9,11,20H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyGBRVASMVZMIXNL-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.27
Rot. Bonds7

About [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol

[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol (PubChem CID 131906846) has the molecular formula C14H23FN4O2 and a molecular weight of 298.36 g/mol. Its IUPAC name is [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
PubChem CID131906846
Molecular FormulaC14H23FN4O2
Molecular Weight298.36 g/mol
Exact Mass298.18
IUPAC Name[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol
SMILESCOc1nc(NCCCN2CCCCC2CO)ncc1F
InChIInChI=1S/C14H23FN4O2/c1-21-13-12(15)9-17-14(18-13)16-6-4-8-19-7-3-2-5-11(19)10-20/h9,11,20H,2-8,10H2,1H3,(H,16,17,18)
InChIKeyGBRVASMVZMIXNL-UHFFFAOYSA-N
XLogP1.27
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol 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

[1-[2-[(3-fluoro-4-pyridinyl)amino]ethyl]piperidin-2-yl]methanol
CID 134711273
N-ethyl-5-fluoro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidin-2-amine
CID 80870420
[1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]azepan-2-yl]methanol
CID 116640745
[1-[[2-(propylamino)pyrimidin-5-yl]methyl]azepan-2-yl]methanol
CID 77098097
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126434930
1-(4-fluoro-3-methoxyphenyl)-3-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]urea
CID 97455332
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131929255
[(2S)-1-[3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]propyl]piperidin-2-yl]methanol
CID 97281554
4-cycloheptyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80870969
6-methoxy-2-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2,5-diamine
CID 43261071
5-fluoro-4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-2-amine
CID 137340626
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871

Frequently Asked Questions

What is the IUPAC name of [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol (CID 131906846) is [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol is COc1nc(NCCCN2CCCCC2CO)ncc1F.
What is the InChIKey of [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol?
The InChIKey is GBRVASMVZMIXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4O2/c1-21-13-12(15)9-17-14(18-13)16-6-4-8-19-7-3-2-5-11(19)10-20/h9,11,20H,2-8,10H2,1H3,(H,16,17,18).
What are the key properties of [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol?
[1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol has a molecular weight of 298.36 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]propyl]piperidin-2-yl]methanol is sourced from PubChem (CID 131906846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).