3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one

C10H17IN4O — CID 66308872

IUPAC3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one
SMILESCN(C)CCNCCn1cncc(I)c1=O
InChIInChI=1S/C10H17IN4O/c1-14(2)5-3-12-4-6-15-8-13-7-9(11)10(15)16/h7-8,12H,3-6H2,1-2H3
InChIKeyWGBAPIOYSTVPBB-UHFFFAOYSA-N
MW336.18 g/mol
LogP-0.00
Rot. Bonds6

About 3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one

3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one (PubChem CID 66308872) has the molecular formula C10H17IN4O and a molecular weight of 336.18 g/mol. Its IUPAC name is 3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one
PubChem CID66308872
Molecular FormulaC10H17IN4O
Molecular Weight336.18 g/mol
Exact Mass336.04
IUPAC Name3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one
SMILESCN(C)CCNCCn1cncc(I)c1=O
InChIInChI=1S/C10H17IN4O/c1-14(2)5-3-12-4-6-15-8-13-7-9(11)10(15)16/h7-8,12H,3-6H2,1-2H3
InChIKeyWGBAPIOYSTVPBB-UHFFFAOYSA-N
XLogP-0.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one (CID 66308872) is 3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one is CN(C)CCNCCn1cncc(I)c1=O.
What is the InChIKey of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one?
The InChIKey is WGBAPIOYSTVPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17IN4O/c1-14(2)5-3-12-4-6-15-8-13-7-9(11)10(15)16/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one?
3-[2-[2-(dimethylamino)ethylamino]ethyl]-5-iodopyrimidin-4-one has a molecular weight of 336.18 g/mol, XLogP of -0.00, 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]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66308872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).