(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol

C14H23N3O — CID 72938714

IUPAC(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESCCc1c(C)nc(C)nc1N1C[C@@H](C)[C@@](C)(O)C1
InChIInChI=1S/C14H23N3O/c1-6-12-10(3)15-11(4)16-13(12)17-7-9(2)14(5,18)8-17/h9,18H,6-8H2,1-5H3/t9-,14+/m1/s1
InChIKeyHOIBBUMISPZVKH-OTYXRUKQSA-N
MW249.36 g/mol
LogP1.86
Rot. Bonds2

About (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol

(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol (PubChem CID 72938714) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
PubChem CID72938714
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESCCc1c(C)nc(C)nc1N1C[C@@H](C)[C@@](C)(O)C1
InChIInChI=1S/C14H23N3O/c1-6-12-10(3)15-11(4)16-13(12)17-7-9(2)14(5,18)8-17/h9,18H,6-8H2,1-5H3/t9-,14+/m1/s1
InChIKeyHOIBBUMISPZVKH-OTYXRUKQSA-N
XLogP1.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol (CID 72938714) is (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol is CCc1c(C)nc(C)nc1N1C[C@@H](C)[C@@](C)(O)C1.
What is the InChIKey of (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is HOIBBUMISPZVKH-OTYXRUKQSA-N. The full InChI is InChI=1S/C14H23N3O/c1-6-12-10(3)15-11(4)16-13(12)17-7-9(2)14(5,18)8-17/h9,18H,6-8H2,1-5H3/t9-,14+/m1/s1.
What are the key properties of (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
(3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol has a molecular weight of 249.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 72938714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).