2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one

C7H9N3O3 — CID 176534108

IUPAC2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one
SMILESCCOC1C(=O)NC(N)=NC1=C=O
InChIInChI=1S/C7H9N3O3/c1-2-13-5-4(3-11)9-7(8)10-6(5)12/h5H,2H2,1H3,(H3,8,9,10,12)
InChIKeyVDJBBZPMXWXPAT-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.45
Rot. Bonds2

About 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one

2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one (PubChem CID 176534108) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one
PubChem CID176534108
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one
SMILESCCOC1C(=O)NC(N)=NC1=C=O
InChIInChI=1S/C7H9N3O3/c1-2-13-5-4(3-11)9-7(8)10-6(5)12/h5H,2H2,1H3,(H3,8,9,10,12)
InChIKeyVDJBBZPMXWXPAT-UHFFFAOYSA-N
XLogP-1.45
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-1,3-diazinane-2,4,6-trione
CID 165356464
3-ethoxy-1,3-dihydroindol-2-one
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2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one
CID 15121590
2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one
CID 83136823
trans-(2S,3S)-3-ethoxy-2-(hydroxymethyl)-4-(oxomethylidene)cyclobutan-1-one
CID 174405716
4-amino-5-ethyl-5-(methoxymethyl)-1H-imidazol-2-one
CID 79962300
2,2,4,4-tetrachloro-3-ethoxycyclobutan-1-one
CID 178075114
3-ethoxy-4-propan-2-yliminocyclobutane-1,2-dione
CID 102343500
2-amino-4-(2-methoxy-2-methylpropyl)-1,4-dihydroimidazol-5-one
CID 106676684
2-amino-4-(sulfanylmethyl)-1,4-dihydroimidazol-5-one
CID 10154117
(3-ethoxypyrrolidin-2-ylidene)methanone
CID 176538797
ethyl 4-acetyl-3-hydroxy-2,5-dioxopyrrolidine-3-carboxylate
CID 102129146

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one (CID 176534108) is 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one is CCOC1C(=O)NC(N)=NC1=C=O.
What is the InChIKey of 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one?
The InChIKey is VDJBBZPMXWXPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-2-13-5-4(3-11)9-7(8)10-6(5)12/h5H,2H2,1H3,(H3,8,9,10,12).
What are the key properties of 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one?
2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one has a molecular weight of 183.17 g/mol, XLogP of -1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one is sourced from PubChem (CID 176534108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).