(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate

C8H10N3O6P — CID 118365702

IUPAC(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate
SMILESNc1ccc2c(n1)N(COP(=O)(O)O)C(=O)CO2
InChIInChI=1S/C8H10N3O6P/c9-6-2-1-5-8(10-6)11(7(12)3-16-5)4-17-18(13,14)15/h1-2H,3-4H2,(H2,9,10)(H2,13,14,15)
InChIKeyUBKWFACEKNFLLG-UHFFFAOYSA-N
MW275.16 g/mol
LogP-0.54
Rot. Bonds3

About (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate

(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate (PubChem CID 118365702) has the molecular formula C8H10N3O6P and a molecular weight of 275.16 g/mol. Its IUPAC name is (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate
PubChem CID118365702
Molecular FormulaC8H10N3O6P
Molecular Weight275.16 g/mol
Exact Mass275.03
IUPAC Name(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate
SMILESNc1ccc2c(n1)N(COP(=O)(O)O)C(=O)CO2
InChIInChI=1S/C8H10N3O6P/c9-6-2-1-5-8(10-6)11(7(12)3-16-5)4-17-18(13,14)15/h1-2H,3-4H2,(H2,9,10)(H2,13,14,15)
InChIKeyUBKWFACEKNFLLG-UHFFFAOYSA-N
XLogP-0.54
TPSA135.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-4-prop-2-ynylpyrido[3,2-b][1,4]oxazin-3-one
CID 83493674
6-amino-4-(4-phenoxybutyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 110831575
2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 110831550
ethyl 2-[2-[[2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 110831568
2-(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 110831553
2-[(6-bromo-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl]benzoic acid
CID 110832036
6-bromo-4-but-3-enylpyrido[3,2-b][1,4]oxazin-3-one
CID 146314662
6-(2-amino-6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-3-one
CID 168771445
2-[[5-oxo-1-[3-oxo-4-(2-trimethylsilylethoxymethyl)pyrido[3,2-b][1,4]oxazin-6-yl]pyrrolidin-3-yl]amino]acetonitrile
CID 156862807
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 624
[(1R,2R,3R,7R,8R,9R,10R,14R)-4,6,11,13-tetraoxo-5-(phosphonooxymethyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl dihydrogen phosphate
CID 98392372
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
CID 71317334

Frequently Asked Questions

What is the IUPAC name of (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate?
The IUPAC name of (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate (CID 118365702) is (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate.
What is the SMILES notation for (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate?
The canonical SMILES for (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate is Nc1ccc2c(n1)N(COP(=O)(O)O)C(=O)CO2.
What is the InChIKey of (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate?
The InChIKey is UBKWFACEKNFLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N3O6P/c9-6-2-1-5-8(10-6)11(7(12)3-16-5)4-17-18(13,14)15/h1-2H,3-4H2,(H2,9,10)(H2,13,14,15).
What are the key properties of (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate?
(6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate has a molecular weight of 275.16 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3-oxopyrido[3,2-b][1,4]oxazin-4-yl)methyl dihydrogen phosphate is sourced from PubChem (CID 118365702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).