ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate

C12H19N3O4 — CID 119090883

IUPACethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate
SMILESCCCCC(C(=O)OCC)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C12H19N3O4/c1-3-5-6-7(11(17)19-4-2)9-8(13)10(16)15-12(18)14-9/h7H,3-6,13H2,1-2H3,(H2,14,15,16,18)
InChIKeyKOJYEARIKYSXSX-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.48
Rot. Bonds6

About ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate

ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate (PubChem CID 119090883) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate.

Molecular Properties

Compound Nameethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate
PubChem CID119090883
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate
SMILESCCCCC(C(=O)OCC)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C12H19N3O4/c1-3-5-6-7(11(17)19-4-2)9-8(13)10(16)15-12(18)14-9/h7H,3-6,13H2,1-2H3,(H2,14,15,16,18)
InChIKeyKOJYEARIKYSXSX-UHFFFAOYSA-N
XLogP0.48
TPSA118.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 2-methylhexanoate
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CID 142202893
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ethyl (2R)-2-hydroxy-3-prop-1-en-2-ylheptanoate
CID 58666215
ethyl 2-(2-bromoethyl)hexanoate
CID 19911410
ethyl 2-(2-methylpropanoyl)hexanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate?
The IUPAC name of ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate (CID 119090883) is ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate.
What is the SMILES notation for ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate?
The canonical SMILES for ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate is CCCCC(C(=O)OCC)c1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate?
The InChIKey is KOJYEARIKYSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-3-5-6-7(11(17)19-4-2)9-8(13)10(16)15-12(18)14-9/h7H,3-6,13H2,1-2H3,(H2,14,15,16,18).
What are the key properties of ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate?
ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate has a molecular weight of 269.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)hexanoate is sourced from PubChem (CID 119090883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).