(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

C14H21FN4O3 — CID 56894609

IUPAC(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1O
InChIInChI=1S/C14H21FN4O3/c15-11-7-16-14(17-13(11)18-3-5-22-6-4-18)19-2-1-10(9-20)12(21)8-19/h7,10,12,20-21H,1-6,8-9H2/t10-,12+/m1/s1
InChIKeyVSPOTUXMWDZMID-PWSUYJOCSA-N
MW312.35 g/mol
LogP-0.37
Rot. Bonds3

About (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 56894609) has the molecular formula C14H21FN4O3 and a molecular weight of 312.35 g/mol. Its IUPAC name is (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID56894609
Molecular FormulaC14H21FN4O3
Molecular Weight312.35 g/mol
Exact Mass312.16
IUPAC Name(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1O
InChIInChI=1S/C14H21FN4O3/c15-11-7-16-14(17-13(11)18-3-5-22-6-4-18)19-2-1-10(9-20)12(21)8-19/h7,10,12,20-21H,1-6,8-9H2/t10-,12+/m1/s1
InChIKeyVSPOTUXMWDZMID-PWSUYJOCSA-N
XLogP-0.37
TPSA81.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol with MolForge

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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56872934
2-(8-Pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanol
CID 118739115
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
1-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-2-hydroxyethanone
CID 118743025
(3S*,4S*)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol
CID 72877463
(3-Endo)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50951084
Ethyl 1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperidine-4-carboxylate
CID 50953683
2-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
CID 50979248
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
1,5-anhydro-2,4-dideoxy-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)amino]-3-O-(2-hydroxyethyl)-D-erythro-pentitol
CID 91797935
2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol
CID 98770636

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (CID 56894609) is (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is OC[C@H]1CCN(c2ncc(F)c(N3CCOCC3)n2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is VSPOTUXMWDZMID-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H21FN4O3/c15-11-7-16-14(17-13(11)18-3-5-22-6-4-18)19-2-1-10(9-20)12(21)8-19/h7,10,12,20-21H,1-6,8-9H2/t10-,12+/m1/s1.
What are the key properties of (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 312.35 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56894609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).