[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

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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).