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

C11H17N3O — CID 112627788

IUPAC1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cnc(N2CCC(C(C)O)C2)nc1
InChIInChI=1S/C11H17N3O/c1-8-5-12-11(13-6-8)14-4-3-10(7-14)9(2)15/h5-6,9-10,15H,3-4,7H2,1-2H3
InChIKeyPIXCMZAIIFKESC-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.99
Rot. Bonds2

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

1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112627788) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID112627788
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCc1cnc(N2CCC(C(C)O)C2)nc1
InChIInChI=1S/C11H17N3O/c1-8-5-12-11(13-6-8)14-4-3-10(7-14)9(2)15/h5-6,9-10,15H,3-4,7H2,1-2H3
InChIKeyPIXCMZAIIFKESC-UHFFFAOYSA-N
XLogP0.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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 1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol (CID 112627788) is 1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol is Cc1cnc(N2CCC(C(C)O)C2)nc1.
What is the InChIKey of 1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is PIXCMZAIIFKESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-12-11(13-6-8)14-4-3-10(7-14)9(2)15/h5-6,9-10,15H,3-4,7H2,1-2H3.
What are the key properties of 1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 207.28 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).