2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

C12H17N3O2 — CID 95848152

IUPAC2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccnc([C@@]2(C)CCCN2C(=O)CO)n1
InChIInChI=1S/C12H17N3O2/c1-9-4-6-13-11(14-9)12(2)5-3-7-15(12)10(17)8-16/h4,6,16H,3,5,7-8H2,1-2H3/t12-/m1/s1
InChIKeyKIPUTBSLPLWHJM-GFCCVEGCSA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds2

About 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone

2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95848152) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID95848152
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
SMILESCc1ccnc([C@@]2(C)CCCN2C(=O)CO)n1
InChIInChI=1S/C12H17N3O2/c1-9-4-6-13-11(14-9)12(2)5-3-7-15(12)10(17)8-16/h4,6,16H,3,5,7-8H2,1-2H3/t12-/m1/s1
InChIKeyKIPUTBSLPLWHJM-GFCCVEGCSA-N
XLogP0.61
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone (CID 95848152) is 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is Cc1ccnc([C@@]2(C)CCCN2C(=O)CO)n1.
What is the InChIKey of 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is KIPUTBSLPLWHJM-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-4-6-13-11(14-9)12(2)5-3-7-15(12)10(17)8-16/h4,6,16H,3,5,7-8H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone?
2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[(2R)-2-methyl-2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95848152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).