5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate

C9H15N2O6P — CID 45481777

IUPAC5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate
SMILESO=c1ccn(CCCCCOP(=O)(O)O)c(=O)[nH]1
InChIInChI=1S/C9H15N2O6P/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-17-18(14,15)16/h4,6H,1-3,5,7H2,(H,10,12,13)(H2,14,15,16)
InChIKeyGDPLEAVRHZGCQA-UHFFFAOYSA-N
MW278.20 g/mol
LogP-0.18
Rot. Bonds7

About 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate

5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate (PubChem CID 45481777) has the molecular formula C9H15N2O6P and a molecular weight of 278.20 g/mol. Its IUPAC name is 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate.

Molecular Properties

Compound Name5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate
PubChem CID45481777
Molecular FormulaC9H15N2O6P
Molecular Weight278.20 g/mol
Exact Mass278.07
IUPAC Name5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate
SMILESO=c1ccn(CCCCCOP(=O)(O)O)c(=O)[nH]1
InChIInChI=1S/C9H15N2O6P/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-17-18(14,15)16/h4,6H,1-3,5,7H2,(H,10,12,13)(H2,14,15,16)
InChIKeyGDPLEAVRHZGCQA-UHFFFAOYSA-N
XLogP-0.18
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate?
The IUPAC name of 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate (CID 45481777) is 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate.
What is the SMILES notation for 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate?
The canonical SMILES for 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate is O=c1ccn(CCCCCOP(=O)(O)O)c(=O)[nH]1.
What is the InChIKey of 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate?
The InChIKey is GDPLEAVRHZGCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O6P/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-17-18(14,15)16/h4,6H,1-3,5,7H2,(H,10,12,13)(H2,14,15,16).
What are the key properties of 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate?
5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate has a molecular weight of 278.20 g/mol, XLogP of -0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxopyrimidin-1-yl)pentyl dihydrogen phosphate is sourced from PubChem (CID 45481777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).