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

C13H21N3O — CID 72895263

IUPAC(3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESCCc1nc(N2C[C@@H](C)[C@@](C)(O)C2)ncc1C
InChIInChI=1S/C13H21N3O/c1-5-11-9(2)6-14-12(15-11)16-7-10(3)13(4,17)8-16/h6,10,17H,5,7-8H2,1-4H3/t10-,13+/m1/s1
InChIKeyCIBGRFSGKKZOGT-MFKMUULPSA-N
MW235.33 g/mol
LogP1.55
Rot. Bonds2

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

(3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol (PubChem CID 72895263) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
PubChem CID72895263
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESCCc1nc(N2C[C@@H](C)[C@@](C)(O)C2)ncc1C
InChIInChI=1S/C13H21N3O/c1-5-11-9(2)6-14-12(15-11)16-7-10(3)13(4,17)8-16/h6,10,17H,5,7-8H2,1-4H3/t10-,13+/m1/s1
InChIKeyCIBGRFSGKKZOGT-MFKMUULPSA-N
XLogP1.55
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol (CID 72895263) is (3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol is CCc1nc(N2C[C@@H](C)[C@@](C)(O)C2)ncc1C.
What is the InChIKey of (3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is CIBGRFSGKKZOGT-MFKMUULPSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-11-9(2)6-14-12(15-11)16-7-10(3)13(4,17)8-16/h6,10,17H,5,7-8H2,1-4H3/t10-,13+/m1/s1.
What are the key properties of (3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol?
(3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 72895263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).