1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol

C10H14ClN3O — CID 112627785

IUPAC1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C10H14ClN3O/c1-7(15)8-2-3-14(6-8)10-12-4-9(11)5-13-10/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyPAWUMRGCQWUHOB-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.34
Rot. Bonds2

About 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol

1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112627785) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID112627785
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C10H14ClN3O/c1-7(15)8-2-3-14(6-8)10-12-4-9(11)5-13-10/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyPAWUMRGCQWUHOB-UHFFFAOYSA-N
XLogP1.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol (CID 112627785) is 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is PAWUMRGCQWUHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(15)8-2-3-14(6-8)10-12-4-9(11)5-13-10/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 227.69 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).