2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one

C9H15N3O4 — CID 23525150

IUPAC2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one
SMILESCCOC(CO)COc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H15N3O4/c1-2-15-6(4-13)5-16-8-3-7(14)11-9(10)12-8/h3,6,13H,2,4-5H2,1H3,(H3,10,11,12,14)
InChIKeyXKOXDNFBZDVHES-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.87
Rot. Bonds6

About 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one

2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one (PubChem CID 23525150) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one
PubChem CID23525150
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one
SMILESCCOC(CO)COc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C9H15N3O4/c1-2-15-6(4-13)5-16-8-3-7(14)11-9(10)12-8/h3,6,13H,2,4-5H2,1H3,(H3,10,11,12,14)
InChIKeyXKOXDNFBZDVHES-UHFFFAOYSA-N
XLogP-0.87
TPSA110.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 9835787
2-amino-4-(2-ethoxyethoxy)-1H-pyrimidin-6-one
CID 23525152
2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one
CID 23525157
[(2S)-1-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 69764965
[(2R)-1-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]-3-hydroxypropan-2-yl]oxymethylphosphonic acid
CID 69764976
[1-[(2-amino-6-oxo-1H-pyrimidin-4-yl)oxy]-3-hydroxypropan-2-yl]oxymethylphosphonous acid
CID 118630323
2-amino-4-[3-methoxy-2-(phosphanylmethoxy)propoxy]-1H-pyrimidin-6-one
CID 163777674

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one (CID 23525150) is 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one is CCOC(CO)COc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one?
The InChIKey is XKOXDNFBZDVHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-2-15-6(4-13)5-16-8-3-7(14)11-9(10)12-8/h3,6,13H,2,4-5H2,1H3,(H3,10,11,12,14).
What are the key properties of 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one?
2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one has a molecular weight of 229.24 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-ethoxy-3-hydroxypropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 23525150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).