4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136989604

IUPAC4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O2/c1-14(2)5-8-3-9(16)6-15(8)10-4-11(17)13-7-12-10/h4,7-9,16H,3,5-6H2,1-2H3,(H,12,13,17)
InChIKeyYPINMYNYVQVQLF-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.73
Rot. Bonds3

About 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136989604) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136989604
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1cc(=O)[nH]cn1
InChIInChI=1S/C11H18N4O2/c1-14(2)5-8-3-9(16)6-15(8)10-4-11(17)13-7-12-10/h4,7-9,16H,3,5-6H2,1-2H3,(H,12,13,17)
InChIKeyYPINMYNYVQVQLF-UHFFFAOYSA-N
XLogP-0.73
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136989604) is 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is CN(C)CC1CC(O)CN1c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is YPINMYNYVQVQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14(2)5-8-3-9(16)6-15(8)10-4-11(17)13-7-12-10/h4,7-9,16H,3,5-6H2,1-2H3,(H,12,13,17).
What are the key properties of 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136989604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).