6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one

C13H19N3O4 — CID 170655982

IUPAC6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESC[C@@H](CO)Cc1cc(C(=O)N2CC[C@@H](O)C2)nc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-8(7-17)4-9-5-11(15-13(20)14-9)12(19)16-3-2-10(18)6-16/h5,8,10,17-18H,2-4,6-7H2,1H3,(H,14,15,20)/t8-,10-/m1/s1
InChIKeyPXEPITKAOLWPQR-PSASIEDQSA-N
MW281.31 g/mol
LogP-0.85
Rot. Bonds4

About 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one

6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one (PubChem CID 170655982) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one
PubChem CID170655982
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESC[C@@H](CO)Cc1cc(C(=O)N2CC[C@@H](O)C2)nc(=O)[nH]1
InChIInChI=1S/C13H19N3O4/c1-8(7-17)4-9-5-11(15-13(20)14-9)12(19)16-3-2-10(18)6-16/h5,8,10,17-18H,2-4,6-7H2,1H3,(H,14,15,20)/t8-,10-/m1/s1
InChIKeyPXEPITKAOLWPQR-PSASIEDQSA-N
XLogP-0.85
TPSA106.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one (CID 170655982) is 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one is C[C@@H](CO)Cc1cc(C(=O)N2CC[C@@H](O)C2)nc(=O)[nH]1.
What is the InChIKey of 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one?
The InChIKey is PXEPITKAOLWPQR-PSASIEDQSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(7-17)4-9-5-11(15-13(20)14-9)12(19)16-3-2-10(18)6-16/h5,8,10,17-18H,2-4,6-7H2,1H3,(H,14,15,20)/t8-,10-/m1/s1.
What are the key properties of 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one?
6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one has a molecular weight of 281.31 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-3-hydroxy-2-methylpropyl]-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 170655982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).