6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C10H15N3O2 — CID 142846941

IUPAC6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCN(C)C(O)C1CCc2nccc(=O)n21
InChIInChI=1S/C10H15N3O2/c1-12(2)10(15)7-3-4-8-11-6-5-9(14)13(7)8/h5-7,10,15H,3-4H2,1-2H3
InChIKeyLEEHHCYKQQUOKP-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.39
Rot. Bonds2

About 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 142846941) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID142846941
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCN(C)C(O)C1CCc2nccc(=O)n21
InChIInChI=1S/C10H15N3O2/c1-12(2)10(15)7-3-4-8-11-6-5-9(14)13(7)8/h5-7,10,15H,3-4H2,1-2H3
InChIKeyLEEHHCYKQQUOKP-UHFFFAOYSA-N
XLogP-0.39
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(6S)-6-(2-hydroxyethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 170174050
(6S)-3-amino-6-[hydroxy(methoxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 178138236
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 55155850
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 62927463
1-Ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 62927464
3-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 62938355
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 138002181

Frequently Asked Questions

What is the IUPAC name of 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 142846941) is 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CN(C)C(O)C1CCc2nccc(=O)n21.
What is the InChIKey of 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is LEEHHCYKQQUOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-12(2)10(15)7-3-4-8-11-6-5-9(14)13(7)8/h5-7,10,15H,3-4H2,1-2H3.
What are the key properties of 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 209.25 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[dimethylamino(hydroxy)methyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142846941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).