methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate

C8H9N3O3 — CID 141076496

IUPACmethyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(=O)[nH]c1N
InChIInChI=1S/C8H9N3O3/c1-14-6(12)3-2-5-4-10-8(13)11-7(5)9/h2-4H,1H3,(H3,9,10,11,13)
InChIKeyOUIUYTFDTWWKSK-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.46
Rot. Bonds2

About methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate

methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate (PubChem CID 141076496) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate
PubChem CID141076496
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Namemethyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate
SMILESCOC(=O)C=Cc1cnc(=O)[nH]c1N
InChIInChI=1S/C8H9N3O3/c1-14-6(12)3-2-5-4-10-8(13)11-7(5)9/h2-4H,1H3,(H3,9,10,11,13)
InChIKeyOUIUYTFDTWWKSK-UHFFFAOYSA-N
XLogP-0.46
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-amino-2-chloropyrimidin-5-yl)prop-2-enoate
CID 169478827
methyl 3-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enoate
CID 169479802
methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 11240788
methyl 3-(2-chloro-4-methylpyrimidin-5-yl)prop-2-enoate
CID 169478723
methyl (E)-3-pyrimidin-5-ylprop-2-enoate
CID 18470237
methyl (E)-3-[4-amino-2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 20667123
ethane;methyl (E)-3-(2-aminophenyl)prop-2-enoate
CID 91121602
methyl 3-(6-fluoro-4-methyl-3-pyridinyl)prop-2-enoate
CID 169478778
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479054
methyl 3-(5-amino-6-methoxy-3-pyridinyl)prop-2-enoate
CID 169478969
methyl 3-(5-bromo-2-methoxy-3-pyridinyl)prop-2-enoate
CID 138114377

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate?
The IUPAC name of methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate (CID 141076496) is methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate is COC(=O)C=Cc1cnc(=O)[nH]c1N.
What is the InChIKey of methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate?
The InChIKey is OUIUYTFDTWWKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-14-6(12)3-2-5-4-10-8(13)11-7(5)9/h2-4H,1H3,(H3,9,10,11,13).
What are the key properties of methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate?
methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate has a molecular weight of 195.18 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-amino-2-oxo-1H-pyrimidin-5-yl)prop-2-enoate is sourced from PubChem (CID 141076496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).