1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol

C10H15FN4O — CID 156550424

IUPAC1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol
SMILESCC(O)C1(F)CCN(c2nccc(N)n2)C1
InChIInChI=1S/C10H15FN4O/c1-7(16)10(11)3-5-15(6-10)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)
InChIKeyFMMLUEMMYUTOLQ-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.36
Rot. Bonds2

About 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol

1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol (PubChem CID 156550424) has the molecular formula C10H15FN4O and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol
PubChem CID156550424
Molecular FormulaC10H15FN4O
Molecular Weight226.25 g/mol
Exact Mass226.12
IUPAC Name1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol
SMILESCC(O)C1(F)CCN(c2nccc(N)n2)C1
InChIInChI=1S/C10H15FN4O/c1-7(16)10(11)3-5-15(6-10)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14)
InChIKeyFMMLUEMMYUTOLQ-UHFFFAOYSA-N
XLogP0.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Pyrimidin-4-yl)piperidin-4-ol
CID 17959854
(3R)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 51895262
1-(2-Aminopyrimidin-4-yl)piperidin-3-ol
CID 66520509
[(3R*,4R*)-1-(2-methylpyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70706860
(3R*,4R*)-3-cyclopropyl-4-methyl-1-[4-(methylamino)-2-pyrimidinyl]-3-pyrrolidinol
CID 72858871
[(3R*,4R*)-1-(2-amino-4-pyrimidinyl)-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72890329
[4-Amino-1-(pyrimidin-2-YL)pyrrolidin-3-YL]methanol
CID 110202608
2-((3S,4R)-3-Fluoro-4-methoxypiperidin-1-yl)pyrimidin-4-amine
CID 90176636
2-[{[(3R*,4R*)-1-(4-amino-2-pyrimidinyl)-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(ethyl)amino]ethanol
CID 72934826
[2-(Pyrimidin-4-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 91910433
(1-(4-Aminopyrimidin-2-yl)pyrrolidin-2-yl)methanol
CID 115978244
N-{[1-(3-Methoxypropyl)pyrrolidin-3-YL]methyl}pyrimidin-4-amine
CID 72922056

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol (CID 156550424) is 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol is CC(O)C1(F)CCN(c2nccc(N)n2)C1.
What is the InChIKey of 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol?
The InChIKey is FMMLUEMMYUTOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4O/c1-7(16)10(11)3-5-15(6-10)9-13-4-2-8(12)14-9/h2,4,7,16H,3,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol?
1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol has a molecular weight of 226.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminopyrimidin-2-yl)-3-fluoropyrrolidin-3-yl]ethanol is sourced from PubChem (CID 156550424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).