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

C11H20N4O — CID 62562380

IUPAC3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCCN(C)C)cn1
InChIInChI=1S/C11H20N4O/c1-10-8-11(16)15(9-13-10)7-5-12-4-6-14(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyXHYLTLAYQWKFQM-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.30
Rot. Bonds6

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

3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one (PubChem CID 62562380) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one
PubChem CID62562380
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCNCCN(C)C)cn1
InChIInChI=1S/C11H20N4O/c1-10-8-11(16)15(9-13-10)7-5-12-4-6-14(2)3/h8-9,12H,4-7H2,1-3H3
InChIKeyXHYLTLAYQWKFQM-UHFFFAOYSA-N
XLogP-0.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.30
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-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one (CID 62562380) is 3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCNCCN(C)C)cn1.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one?
The InChIKey is XHYLTLAYQWKFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-10-8-11(16)15(9-13-10)7-5-12-4-6-14(2)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one?
3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one has a molecular weight of 224.31 g/mol, XLogP of -0.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 62562380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).