[1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate

C12H19N3O4 — CID 68502284

IUPAC[1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate
SMILESCC(=O)OC(CCN)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-9(16)19-10(4-6-13)3-2-7-15-8-5-11(17)14-12(15)18/h5,8,10H,2-4,6-7,13H2,1H3,(H,14,17,18)
InChIKeyCLAZNGSSANQTSN-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.40
Rot. Bonds7

About [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate

[1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate (PubChem CID 68502284) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate.

Molecular Properties

Compound Name[1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate
PubChem CID68502284
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name[1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate
SMILESCC(=O)OC(CCN)CCCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-9(16)19-10(4-6-13)3-2-7-15-8-5-11(17)14-12(15)18/h5,8,10H,2-4,6-7,13H2,1H3,(H,14,17,18)
InChIKeyCLAZNGSSANQTSN-UHFFFAOYSA-N
XLogP-0.40
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate?
The IUPAC name of [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate (CID 68502284) is [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate.
What is the SMILES notation for [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate?
The canonical SMILES for [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate is CC(=O)OC(CCN)CCCn1ccc(=O)[nH]c1=O.
What is the InChIKey of [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate?
The InChIKey is CLAZNGSSANQTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-9(16)19-10(4-6-13)3-2-7-15-8-5-11(17)14-12(15)18/h5,8,10H,2-4,6-7,13H2,1H3,(H,14,17,18).
What are the key properties of [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate?
[1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate has a molecular weight of 269.30 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate is sourced from PubChem (CID 68502284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).