4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one

C10H18N4O2 — CID 137409859

IUPAC4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one
SMILESCN(C)CCOCCn1ccc(N)nc1=O
InChIInChI=1S/C10H18N4O2/c1-13(2)5-7-16-8-6-14-4-3-9(11)12-10(14)15/h3-4H,5-8H2,1-2H3,(H2,11,12,15)
InChIKeyDJPYXMGCDLJZBA-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.60
Rot. Bonds6

About 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one

4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one (PubChem CID 137409859) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one
PubChem CID137409859
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one
SMILESCN(C)CCOCCn1ccc(N)nc1=O
InChIInChI=1S/C10H18N4O2/c1-13(2)5-7-16-8-6-14-4-3-9(11)12-10(14)15/h3-4H,5-8H2,1-2H3,(H2,11,12,15)
InChIKeyDJPYXMGCDLJZBA-UHFFFAOYSA-N
XLogP-0.60
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one (CID 137409859) is 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one is CN(C)CCOCCn1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one?
The InChIKey is DJPYXMGCDLJZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-13(2)5-7-16-8-6-14-4-3-9(11)12-10(14)15/h3-4H,5-8H2,1-2H3,(H2,11,12,15).
What are the key properties of 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one?
4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidin-2-one is sourced from PubChem (CID 137409859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).