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

C11H19N5O2 — CID 136979761

IUPAC5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H19N5O2/c1-15(2)4-7-3-8(17)5-16(7)10-9(12)11(18)14-6-13-10/h6-8,17H,3-5,12H2,1-2H3,(H,13,14,18)
InChIKeyIMEFPMOENNNDRM-UHFFFAOYSA-N
MW253.31 g/mol
LogP-1.15
Rot. Bonds3

About 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136979761) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136979761
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCN(C)CC1CC(O)CN1c1nc[nH]c(=O)c1N
InChIInChI=1S/C11H19N5O2/c1-15(2)4-7-3-8(17)5-16(7)10-9(12)11(18)14-6-13-10/h6-8,17H,3-5,12H2,1-2H3,(H,13,14,18)
InChIKeyIMEFPMOENNNDRM-UHFFFAOYSA-N
XLogP-1.15
TPSA98.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 136979761) is 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is CN(C)CC1CC(O)CN1c1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is IMEFPMOENNNDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-15(2)4-7-3-8(17)5-16(7)10-9(12)11(18)14-6-13-10/h6-8,17H,3-5,12H2,1-2H3,(H,13,14,18).
What are the key properties of 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 253.31 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136979761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).