3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one

C12H22N4O — CID 55088368

IUPAC3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCCCN(C)C)cn1
InChIInChI=1S/C12H22N4O/c1-11-9-12(17)16(10-14-11)8-6-13-5-4-7-15(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyGZUPESZMYVHXIN-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.09
Rot. Bonds7

About 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one

3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one (PubChem CID 55088368) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one
PubChem CID55088368
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCCCN(C)C)cn1
InChIInChI=1S/C12H22N4O/c1-11-9-12(17)16(10-14-11)8-6-13-5-4-7-15(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyGZUPESZMYVHXIN-UHFFFAOYSA-N
XLogP0.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one (CID 55088368) is 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCNCCCN(C)C)cn1.
What is the InChIKey of 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one?
The InChIKey is GZUPESZMYVHXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-11-9-12(17)16(10-14-11)8-6-13-5-4-7-15(2)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one?
3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one has a molecular weight of 238.33 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(dimethylamino)propylamino]ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 55088368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).