[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone

C15H23N3O2 — CID 124848445

IUPAC[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCC[C@]2(CO)CC(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-11(2)9-15(10-19)6-4-8-18(15)14(20)13-5-7-16-12(3)17-13/h5,7,11,19H,4,6,8-10H2,1-3H3/t15-/m1/s1
InChIKeyMWUFFXDSBAYTEU-OAHLLOKOSA-N
MW277.37 g/mol
LogP1.80
Rot. Bonds4

About [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone

[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 124848445) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
PubChem CID124848445
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCC[C@]2(CO)CC(C)C)n1
InChIInChI=1S/C15H23N3O2/c1-11(2)9-15(10-19)6-4-8-18(15)14(20)13-5-7-16-12(3)17-13/h5,7,11,19H,4,6,8-10H2,1-3H3/t15-/m1/s1
InChIKeyMWUFFXDSBAYTEU-OAHLLOKOSA-N
XLogP1.80
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone (CID 124848445) is [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone is Cc1nccc(C(=O)N2CCC[C@]2(CO)CC(C)C)n1.
What is the InChIKey of [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is MWUFFXDSBAYTEU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)9-15(10-19)6-4-8-18(15)14(20)13-5-7-16-12(3)17-13/h5,7,11,19H,4,6,8-10H2,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
[(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 124848445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).