[2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol

C17H19FN4O2 — CID 88931204

IUPAC[2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
SMILESCC1(N=O)CCN(c2ncc(-c3cccc(CO)c3F)cn2)CC1
InChIInChI=1S/C17H19FN4O2/c1-17(21-24)5-7-22(8-6-17)16-19-9-13(10-20-16)14-4-2-3-12(11-23)15(14)18/h2-4,9-10,23H,5-8,11H2,1H3
InChIKeyHCOSLVWBVUZNBS-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.90
Rot. Bonds4

About [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol

[2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol (PubChem CID 88931204) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
PubChem CID88931204
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name[2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
SMILESCC1(N=O)CCN(c2ncc(-c3cccc(CO)c3F)cn2)CC1
InChIInChI=1S/C17H19FN4O2/c1-17(21-24)5-7-22(8-6-17)16-19-9-13(10-20-16)14-4-2-3-12(11-23)15(14)18/h2-4,9-10,23H,5-8,11H2,1H3
InChIKeyHCOSLVWBVUZNBS-UHFFFAOYSA-N
XLogP2.90
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]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-[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]piperidin-4-one
CID 126562974
[2-fluoro-3-[2-(4-methoxyiminopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
CID 126561988
[3-[2-(4-ethoxyiminopiperidin-1-yl)pyrimidin-5-yl]-2-fluorophenyl]methanol
CID 126564839
[2-fluoro-3-[2-(4-propoxyiminopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
CID 126562092
[2-fluoro-3-[2-(4-pyrimidin-2-yloxyiminopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
CID 126562987
2-[1-[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]piperidin-4-yl]oxyacetic acid
CID 121258785
[2-fluoro-3-[2-[3-(1-methylazetidin-3-yl)oxyiminoazetidin-1-yl]pyrimidin-5-yl]phenyl]methanol
CID 126562530
[3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol
CID 135200646
[3-[2-[3-[2-(3-ethylazetidin-1-yl)ethoxyimino]azetidin-1-yl]pyrimidin-5-yl]-2-fluorophenyl]methanol
CID 134591714
5-[[[1-[5-[2-fluoro-3-(hydroxymethyl)phenyl]pyrimidin-2-yl]azetidin-3-ylidene]amino]oxymethyl]oxolan-2-one
CID 126562146
1-[5-[2-fluoro-3-(methoxymethyl)phenyl]pyrimidin-2-yl]-N-(2-methoxyethoxy)piperidin-4-imine
CID 126562046
[2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol
CID 134584914

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol?
The IUPAC name of [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol (CID 88931204) is [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol?
The canonical SMILES for [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol is CC1(N=O)CCN(c2ncc(-c3cccc(CO)c3F)cn2)CC1.
What is the InChIKey of [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol?
The InChIKey is HCOSLVWBVUZNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-17(21-24)5-7-22(8-6-17)16-19-9-13(10-20-16)14-4-2-3-12(11-23)15(14)18/h2-4,9-10,23H,5-8,11H2,1H3.
What are the key properties of [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol?
[2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol has a molecular weight of 330.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[2-(4-methyl-4-nitrosopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol is sourced from PubChem (CID 88931204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).