1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

C11H16ClN3O2 — CID 112626332

IUPAC1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncnc(Cl)c2CO)C1
InChIInChI=1S/C11H16ClN3O2/c1-7(17)8-2-3-15(4-8)11-9(5-16)10(12)13-6-14-11/h6-8,16-17H,2-5H2,1H3
InChIKeyOUYNDXOWPFIUQF-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.83
Rot. Bonds3

About 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 112626332) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID112626332
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncnc(Cl)c2CO)C1
InChIInChI=1S/C11H16ClN3O2/c1-7(17)8-2-3-15(4-8)11-9(5-16)10(12)13-6-14-11/h6-8,16-17H,2-5H2,1H3
InChIKeyOUYNDXOWPFIUQF-UHFFFAOYSA-N
XLogP0.83
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433
1-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629646
[1-(6-chloro-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112627020
1-[1-(6-amino-5-ethylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106839793
1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 103990092
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157
1-[1-(6-chloro-5-nitropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836974
1-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112627790
1-[1-[5-propan-2-yl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967468
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
(1R)-1-[(3S)-1-(3-chloropyrazin-2-yl)piperidin-3-yl]ethanol
CID 129495606
1-(6-chloro-5-propylpyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 63729539

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 112626332) is 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ncnc(Cl)c2CO)C1.
What is the InChIKey of 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is OUYNDXOWPFIUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(17)8-2-3-15(4-8)11-9(5-16)10(12)13-6-14-11/h6-8,16-17H,2-5H2,1H3.
What are the key properties of 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 257.72 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112626332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).