(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol

C13H21FN4O2 — CID 70781277

IUPAC(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(c2ncc(F)c(N(C)C)n2)C[C@H]1O
InChIInChI=1S/C13H21FN4O2/c1-4-13(20)5-6-18(8-10(13)19)12-15-7-9(14)11(16-12)17(2)3/h7,10,19-20H,4-6,8H2,1-3H3/t10-,13-/m1/s1
InChIKeyOGFMWTTUCMOQCV-ZWNOBZJWSA-N
MW284.33 g/mol
LogP0.39
Rot. Bonds3

About (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol

(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol (PubChem CID 70781277) has the molecular formula C13H21FN4O2 and a molecular weight of 284.33 g/mol. Its IUPAC name is (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol
PubChem CID70781277
Molecular FormulaC13H21FN4O2
Molecular Weight284.33 g/mol
Exact Mass284.16
IUPAC Name(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol
SMILESCC[C@@]1(O)CCN(c2ncc(F)c(N(C)C)n2)C[C@H]1O
InChIInChI=1S/C13H21FN4O2/c1-4-13(20)5-6-18(8-10(13)19)12-15-7-9(14)11(16-12)17(2)3/h7,10,19-20H,4-6,8H2,1-3H3/t10-,13-/m1/s1
InChIKeyOGFMWTTUCMOQCV-ZWNOBZJWSA-N
XLogP0.39
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-3-ol
CID 71633895
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
(3S*,4S*)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol
CID 72877463
1-[4-(Dimethylamino)-5-methyl-2-pyrimidinyl]-4-piperidinol
CID 39830890
(3S*,4S*)-4-methyl-1-{[2-(propylamino)pyrimidin-5-yl]methyl}piperidine-3,4-diol
CID 72866844
(4S)-1-[5-fluoro-4-(methylamino)-2-pyrimidinyl]-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72896274
1-{[2-(Dimethylamino)pyrimidin-5-YL]methyl}-3-(hydroxymethyl)pyrrolidin-3-OL
CID 77089256
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
(4S)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]azepan-4-ol
CID 164633400
(4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol
CID 164637120
[1-(2-Chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
CID 57990270
1-(5-Fluoropyrimidin-2-yl)piperidin-4-ol
CID 60137812

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol?
The IUPAC name of (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol (CID 70781277) is (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol is CC[C@@]1(O)CCN(c2ncc(F)c(N(C)C)n2)C[C@H]1O.
What is the InChIKey of (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol?
The InChIKey is OGFMWTTUCMOQCV-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H21FN4O2/c1-4-13(20)5-6-18(8-10(13)19)12-15-7-9(14)11(16-12)17(2)3/h7,10,19-20H,4-6,8H2,1-3H3/t10-,13-/m1/s1.
What are the key properties of (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol?
(3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol has a molecular weight of 284.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-4-ethylpiperidine-3,4-diol is sourced from PubChem (CID 70781277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).