1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol

C11H17FN4O2 — CID 72920425

IUPAC1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESCN(C)c1nc(N2CCC(O)(CO)C2)ncc1F
InChIInChI=1S/C11H17FN4O2/c1-15(2)9-8(12)5-13-10(14-9)16-4-3-11(18,6-16)7-17/h5,17-18H,3-4,6-7H2,1-2H3
InChIKeyUQHYYNFIISYNGO-UHFFFAOYSA-N
MW256.28 g/mol
LogP-0.38
Rot. Bonds3

About 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol

1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol (PubChem CID 72920425) has the molecular formula C11H17FN4O2 and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol
PubChem CID72920425
Molecular FormulaC11H17FN4O2
Molecular Weight256.28 g/mol
Exact Mass256.13
IUPAC Name1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol
SMILESCN(C)c1nc(N2CCC(O)(CO)C2)ncc1F
InChIInChI=1S/C11H17FN4O2/c1-15(2)9-8(12)5-13-10(14-9)16-4-3-11(18,6-16)7-17/h5,17-18H,3-4,6-7H2,1-2H3
InChIKeyUQHYYNFIISYNGO-UHFFFAOYSA-N
XLogP-0.38
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-0.38
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]pyrrolidin-3-yl}methanol
CID 71633879
(3S*,4S*)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-methylpiperidine-3,4-diol
CID 72877463
2-[{[(3R*,4R*)-1-(4-amino-2-pyrimidinyl)-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(ethyl)amino]ethanol
CID 72934826
2-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
CID 50962051
(3S*,4S*)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-isopropoxypyrrolidin-3-ol
CID 50983764
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
trans-4-Ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
CID 91780076
(3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 133344810
[(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 164631579
1-(5-Fluoro-6-pyrrolidin-1-ylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 117663691
1-[2-[Ethyl-(5-fluoropyrimidin-2-yl)amino]ethyl]pyrrolidin-3-ol
CID 141870801

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol (CID 72920425) is 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol is CN(C)c1nc(N2CCC(O)(CO)C2)ncc1F.
What is the InChIKey of 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol?
The InChIKey is UQHYYNFIISYNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O2/c1-15(2)9-8(12)5-13-10(14-9)16-4-3-11(18,6-16)7-17/h5,17-18H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol?
1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol has a molecular weight of 256.28 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-3-(hydroxymethyl)pyrrolidin-3-ol is sourced from PubChem (CID 72920425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).