[(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol

C9H12FN3O — CID 97169693

IUPAC[(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H12FN3O/c10-8-3-11-9(12-4-8)13-2-1-7(5-13)6-14/h3-4,7,14H,1-2,5-6H2/t7-/m0/s1
InChIKeySBNSOKCQLMDFQU-ZETCQYMHSA-N
MW197.21 g/mol
LogP0.43
Rot. Bonds2

About [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol

[(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 97169693) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol
PubChem CID97169693
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name[(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C9H12FN3O/c10-8-3-11-9(12-4-8)13-2-1-7(5-13)6-14/h3-4,7,14H,1-2,5-6H2/t7-/m0/s1
InChIKeySBNSOKCQLMDFQU-ZETCQYMHSA-N
XLogP0.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R*,4R*)-1-[(2-isopropylpyrimidin-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70735890
[1-[(2-Propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 110226036
{1-[5-(Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]pyrrolidin-3-yl}methanol
CID 71633879
2-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
CID 50962051
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
(1-{[(5-Fluoropyrimidin-2-yl)(methyl)amino]methyl}cyclopentyl)methanol
CID 131947034
[(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 164631579
(7S,8aS)-7-hydroxymethyl-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 15886071
[2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol
CID 21706371
3-[(2-Chloro-5-fluoro-4-pyrimidinyl)(methyl)amino]-1-propanol
CID 57845518

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol (CID 97169693) is [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol is OC[C@H]1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is SBNSOKCQLMDFQU-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8-3-11-9(12-4-8)13-2-1-7(5-13)6-14/h3-4,7,14H,1-2,5-6H2/t7-/m0/s1.
What are the key properties of [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol?
[(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 197.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 97169693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).