5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one

C8H14N4O2 — CID 103241376

IUPAC5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4,9H2,1-2H3,(H,10,11,13)
InChIKeyJEULZMVIVCWITG-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.71
Rot. Bonds4

About 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one

5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241376) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID103241376
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCN(C)CCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C8H14N4O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4,9H2,1-2H3,(H,10,11,13)
InChIKeyJEULZMVIVCWITG-UHFFFAOYSA-N
XLogP-0.71
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-morpholin-4-yl-1H-pyrimidin-6-one
CID 136393190
5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102741495
5-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 103240580
5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
CID 103240661
5-amino-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 103240671
5-amino-4-butoxy-1H-pyrimidin-6-one
CID 103240826
5-amino-4-pentoxy-1H-pyrimidin-6-one
CID 103240842
5-amino-4-butan-2-yloxy-1H-pyrimidin-6-one
CID 103240850
5-amino-4-(3-methoxypropoxy)-1H-pyrimidin-6-one
CID 103240863

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one (CID 103241376) is 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one is CN(C)CCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is JEULZMVIVCWITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-12(2)3-4-14-8-6(9)7(13)10-5-11-8/h5H,3-4,9H2,1-2H3,(H,10,11,13).
What are the key properties of 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one?
5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 198.23 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).