ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate

C8H10N4O3 — CID 135703369

IUPACethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate
SMILESCCOC(=O)/C=N/c1c(N)nc[nH]c1=O
InChIInChI=1S/C8H10N4O3/c1-2-15-5(13)3-10-6-7(9)11-4-12-8(6)14/h3-4H,2H2,1H3,(H3,9,11,12,14)/b10-3+
InChIKeyNHNAFGACIJKLDQ-XCVCLJGOSA-N
MW210.19 g/mol
LogP-0.38
Rot. Bonds3

About ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate

ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate (PubChem CID 135703369) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate
PubChem CID135703369
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Nameethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate
SMILESCCOC(=O)/C=N/c1c(N)nc[nH]c1=O
InChIInChI=1S/C8H10N4O3/c1-2-15-5(13)3-10-6-7(9)11-4-12-8(6)14/h3-4H,2H2,1H3,(H3,9,11,12,14)/b10-3+
InChIKeyNHNAFGACIJKLDQ-XCVCLJGOSA-N
XLogP-0.38
TPSA110.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(4-amino-1-methyl-6-oxopyrimidin-5-yl)iminoacetate
CID 125508922
Ethyl 2-(2,4-diamino-1-methyl-6-oxopyrimidin-5-yl)iminoacetate
CID 125509210
ethyl 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136958716
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136974094
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007636
ethyl 2-[(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)imino]acetate
CID 137048087
ethyl 2-[(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)imino]acetate
CID 137092180
ethyl 2-[[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]imino]acetate
CID 137092182

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate?
The IUPAC name of ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate (CID 135703369) is ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate is CCOC(=O)/C=N/c1c(N)nc[nH]c1=O.
What is the InChIKey of ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate?
The InChIKey is NHNAFGACIJKLDQ-XCVCLJGOSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-2-15-5(13)3-10-6-7(9)11-4-12-8(6)14/h3-4H,2H2,1H3,(H3,9,11,12,14)/b10-3+.
What are the key properties of ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate?
ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate has a molecular weight of 210.19 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-6-oxo-1H-pyrimidin-5-yl)imino]acetate is sourced from PubChem (CID 135703369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).