(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol

C11H17N3O — CID 103431371

IUPAC(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol
SMILESCc1nc(N2CCCC2)ncc1[C@@H](C)O
InChIInChI=1S/C11H17N3O/c1-8-10(9(2)15)7-12-11(13-8)14-5-3-4-6-14/h7,9,15H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyXSKFMUAFBVYCKA-SECBINFHSA-N
MW207.28 g/mol
LogP1.44
Rot. Bonds2

About (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol

(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol (PubChem CID 103431371) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol
PubChem CID103431371
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol
SMILESCc1nc(N2CCCC2)ncc1[C@@H](C)O
InChIInChI=1S/C11H17N3O/c1-8-10(9(2)15)7-12-11(13-8)14-5-3-4-6-14/h7,9,15H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyXSKFMUAFBVYCKA-SECBINFHSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol?
The IUPAC name of (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol (CID 103431371) is (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol?
The canonical SMILES for (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol is Cc1nc(N2CCCC2)ncc1[C@@H](C)O.
What is the InChIKey of (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol?
The InChIKey is XSKFMUAFBVYCKA-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-10(9(2)15)7-12-11(13-8)14-5-3-4-6-14/h7,9,15H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol?
(1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol has a molecular weight of 207.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 103431371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).