2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol

C11H17N3O — CID 115657972

IUPAC2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCc1ccnc(N2CCC(CCO)C2)n1
InChIInChI=1S/C11H17N3O/c1-9-2-5-12-11(13-9)14-6-3-10(8-14)4-7-15/h2,5,10,15H,3-4,6-8H2,1H3
InChIKeyJXWKUMJXTUZOEL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.99
Rot. Bonds3

About 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol

2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 115657972) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID115657972
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCc1ccnc(N2CCC(CCO)C2)n1
InChIInChI=1S/C11H17N3O/c1-9-2-5-12-11(13-9)14-6-3-10(8-14)4-7-15/h2,5,10,15H,3-4,6-8H2,1H3
InChIKeyJXWKUMJXTUZOEL-UHFFFAOYSA-N
XLogP0.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol (CID 115657972) is 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol is Cc1ccnc(N2CCC(CCO)C2)n1.
What is the InChIKey of 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is JXWKUMJXTUZOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-2-5-12-11(13-9)14-6-3-10(8-14)4-7-15/h2,5,10,15H,3-4,6-8H2,1H3.
What are the key properties of 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 207.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115657972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).