2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol

C13H21N3O — CID 118739955

IUPAC2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol
SMILESCc1cc(C)nc(C2(C)CCCN2CCO)n1
InChIInChI=1S/C13H21N3O/c1-10-9-11(2)15-12(14-10)13(3)5-4-6-16(13)7-8-17/h9,17H,4-8H2,1-3H3
InChIKeyHWPODWJPWMUYJI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.40
Rot. Bonds3

About 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol

2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol (PubChem CID 118739955) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol
PubChem CID118739955
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol
SMILESCc1cc(C)nc(C2(C)CCCN2CCO)n1
InChIInChI=1S/C13H21N3O/c1-10-9-11(2)15-12(14-10)13(3)5-4-6-16(13)7-8-17/h9,17H,4-8H2,1-3H3
InChIKeyHWPODWJPWMUYJI-UHFFFAOYSA-N
XLogP1.40
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol?
The IUPAC name of 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol (CID 118739955) is 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol is Cc1cc(C)nc(C2(C)CCCN2CCO)n1.
What is the InChIKey of 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol?
The InChIKey is HWPODWJPWMUYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10-9-11(2)15-12(14-10)13(3)5-4-6-16(13)7-8-17/h9,17H,4-8H2,1-3H3.
What are the key properties of 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol?
2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 118739955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).