2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one

C8H15N3O4 — CID 15121590

IUPAC2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one
SMILESCCOC1N=C(N)NC(=O)C1(O)OCC
InChIInChI=1S/C8H15N3O4/c1-3-14-6-8(13,15-4-2)5(12)10-7(9)11-6/h6,13H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyGNGYKEIKNUPPAA-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.48
Rot. Bonds4

About 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one

2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one (PubChem CID 15121590) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one
PubChem CID15121590
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one
SMILESCCOC1N=C(N)NC(=O)C1(O)OCC
InChIInChI=1S/C8H15N3O4/c1-3-14-6-8(13,15-4-2)5(12)10-7(9)11-6/h6,13H,3-4H2,1-2H3,(H3,9,10,11,12)
InChIKeyGNGYKEIKNUPPAA-UHFFFAOYSA-N
XLogP-1.48
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-ethoxy-4-(oxomethylidene)-1H-pyrimidin-6-one
CID 176534108
5-ethoxy-1,3-diazinane-2,4,6-trione
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2-amino-4-(methoxymethyl)-1,4-dihydroimidazol-5-one
CID 83136823
diethyl (2S,3R,5S,6S)-2,6-dimethyl-4-oxopiperidine-3,5-dicarboxylate
CID 124603795
4-ethoxy-5-hydroxyimidazolidin-2-one
CID 139891080
2-amino-4-ethyl-4-methyl-1H-imidazol-5-one
CID 82996871
3-ethoxy-1,3-dihydroindol-2-one
CID 5206883
2,2-diethoxy-3,4-dihydroxycyclobutan-1-one
CID 118574697
CID 57408830
CID 57408830
(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-3,5,6,7,8,8a-hexahydropteridin-4-one
CID 171124029
2,2,4,4-tetrachloro-3-ethoxycyclobutan-1-one
CID 178075114
ethyl 2-[4-(hydroxyamino)-3-methyl-5-oxo-1H-pyrazol-4-yl]acetate
CID 129057125

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one?
The IUPAC name of 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one (CID 15121590) is 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one.
What is the SMILES notation for 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one?
The canonical SMILES for 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one is CCOC1N=C(N)NC(=O)C1(O)OCC.
What is the InChIKey of 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one?
The InChIKey is GNGYKEIKNUPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-3-14-6-8(13,15-4-2)5(12)10-7(9)11-6/h6,13H,3-4H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one?
2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one has a molecular weight of 217.22 g/mol, XLogP of -1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-diethoxy-5-hydroxy-1,4-dihydropyrimidin-6-one is sourced from PubChem (CID 15121590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).