2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol

C11H16ClN3O2 — CID 166068823

IUPAC2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCOc1nc(Cl)cc(N2CCCC2CCO)n1
InChIInChI=1S/C11H16ClN3O2/c1-17-11-13-9(12)7-10(14-11)15-5-2-3-8(15)4-6-16/h7-8,16H,2-6H2,1H3
InChIKeyXRELLRRPQNJFII-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.49
Rot. Bonds4

About 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol

2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol (PubChem CID 166068823) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol
PubChem CID166068823
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCOc1nc(Cl)cc(N2CCCC2CCO)n1
InChIInChI=1S/C11H16ClN3O2/c1-17-11-13-9(12)7-10(14-11)15-5-2-3-8(15)4-6-16/h7-8,16H,2-6H2,1H3
InChIKeyXRELLRRPQNJFII-UHFFFAOYSA-N
XLogP1.49
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol (CID 166068823) is 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol is COc1nc(Cl)cc(N2CCCC2CCO)n1.
What is the InChIKey of 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
The InChIKey is XRELLRRPQNJFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-17-11-13-9(12)7-10(14-11)15-5-2-3-8(15)4-6-16/h7-8,16H,2-6H2,1H3.
What are the key properties of 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol has a molecular weight of 257.72 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-methoxypyrimidin-4-yl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 166068823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).