[1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

C10H14FN3O — CID 102784119

IUPAC[1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cc(F)ncn2)C1CO
InChIInChI=1S/C10H14FN3O/c1-7-2-3-14(8(7)5-15)10-4-9(11)12-6-13-10/h4,6-8,15H,2-3,5H2,1H3
InChIKeyLGZJLFIZHZUPCY-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.82
Rot. Bonds2

About [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102784119) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102784119
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name[1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2cc(F)ncn2)C1CO
InChIInChI=1S/C10H14FN3O/c1-7-2-3-14(8(7)5-15)10-4-9(11)12-6-13-10/h4,6-8,15H,2-3,5H2,1H3
InChIKeyLGZJLFIZHZUPCY-UHFFFAOYSA-N
XLogP0.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144597
(3R,5R)-5-((dimethylamino)methyl)-1-(6-fluoropyrimidin-4-yl)pyrrolidin-3-ol
CID 165738809
(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]-4-methylpentan-1-ol
CID 164643079
[1-(2-Chloro-5-fluoropyrimidin-4-yl)-3,3-difluoropyrrolidin-2-yl]methanol
CID 118246476
(2S,3R)-2-fluoro-3-methyl-4-pyrimidin-2-ylbutan-1-ol
CID 145217503
[1-[6-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 53600497
(1-(5-Fluoropyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 71301866
[1-[6-[1-(2,2,2-Trifluoroethoxy)propan-2-ylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72144562
(1-(2-Chloro-5-fluoro-pyrimidin-4-YL)-pyrrolidin-2-YL)-methanol
CID 79081347
[1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80793920
[1-(2-Amino-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794570

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102784119) is [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2cc(F)ncn2)C1CO.
What is the InChIKey of [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is LGZJLFIZHZUPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-7-2-3-14(8(7)5-15)10-4-9(11)12-6-13-10/h4,6-8,15H,2-3,5H2,1H3.
What are the key properties of [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 211.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102784119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).