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

C8H11N3O4 — CID 45093301

IUPACethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C8H11N3O4/c1-2-15-5(12)3-4-6(9)7(13)11-8(14)10-4/h2-3,9H2,1H3,(H2,10,11,13,14)
InChIKeyGKOKTQVWCMQLHI-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.25
Rot. Bonds3

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

ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate (PubChem CID 45093301) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate
PubChem CID45093301
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Nameethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C8H11N3O4/c1-2-15-5(12)3-4-6(9)7(13)11-8(14)10-4/h2-3,9H2,1H3,(H2,10,11,13,14)
InChIKeyGKOKTQVWCMQLHI-UHFFFAOYSA-N
XLogP-1.25
TPSA118.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl (2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetate
CID 2049745
Methyl 2-(5-carbamoyl-2-oxo-1,3-dihydroimidazol-4-yl)acetate
CID 234603
Methyl 2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetate
CID 21784458
2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetic acid
CID 83482974
Ethyl 2-[5-amino-3-(methoxymethyl)-2,6-dioxopyrimidin-4-yl]acetate
CID 152479176
propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
CID 10751009
Butyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidineacetate
CID 10775600
Ethyl 2-amino-2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetate
CID 12328994
propyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
CID 80156827
Ethyl 2-(5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoate
CID 165341714

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate (CID 45093301) is ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate is CCOC(=O)Cc1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The InChIKey is GKOKTQVWCMQLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-2-15-5(12)3-4-6(9)7(13)11-8(14)10-4/h2-3,9H2,1H3,(H2,10,11,13,14).
What are the key properties of ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate?
ethyl 2-(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)acetate has a molecular weight of 213.19 g/mol, XLogP of -1.25, 3 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)acetate is sourced from PubChem (CID 45093301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).