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

C11H16ClN3O — CID 121201735

IUPAC1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCc1nc(Cl)cc(N2CCCC2C(C)O)n1
InChIInChI=1S/C11H16ClN3O/c1-7(16)9-4-3-5-15(9)11-6-10(12)13-8(2)14-11/h6-7,9,16H,3-5H2,1-2H3
InChIKeyCYBWOYWFVGJALV-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.79
Rot. Bonds2

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

1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol (PubChem CID 121201735) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
PubChem CID121201735
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCc1nc(Cl)cc(N2CCCC2C(C)O)n1
InChIInChI=1S/C11H16ClN3O/c1-7(16)9-4-3-5-15(9)11-6-10(12)13-8(2)14-11/h6-7,9,16H,3-5H2,1-2H3
InChIKeyCYBWOYWFVGJALV-UHFFFAOYSA-N
XLogP1.79
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol (CID 121201735) is 1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol is Cc1nc(Cl)cc(N2CCCC2C(C)O)n1.
What is the InChIKey of 1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
The InChIKey is CYBWOYWFVGJALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(16)9-4-3-5-15(9)11-6-10(12)13-8(2)14-11/h6-7,9,16H,3-5H2,1-2H3.
What are the key properties of 1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol has a molecular weight of 241.72 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 121201735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).