(6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate

C4H6N3O5P — CID 10081750

IUPAC(6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate
SMILESNc1[nH]c(=O)ncc1OP(=O)(O)O
InChIInChI=1S/C4H6N3O5P/c5-3-2(12-13(9,10)11)1-6-4(8)7-3/h1H,(H2,9,10,11)(H3,5,6,7,8)
InChIKeyBYKIILJOZCNWFN-UHFFFAOYSA-N
MW207.08 g/mol
LogP-1.18
Rot. Bonds2

About (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate

(6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate (PubChem CID 10081750) has the molecular formula C4H6N3O5P and a molecular weight of 207.08 g/mol. Its IUPAC name is (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate.

Molecular Properties

Compound Name(6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate
PubChem CID10081750
Molecular FormulaC4H6N3O5P
Molecular Weight207.08 g/mol
Exact Mass207.00
IUPAC Name(6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate
SMILESNc1[nH]c(=O)ncc1OP(=O)(O)O
InChIInChI=1S/C4H6N3O5P/c5-3-2(12-13(9,10)11)1-6-4(8)7-3/h1H,(H2,9,10,11)(H3,5,6,7,8)
InChIKeyBYKIILJOZCNWFN-UHFFFAOYSA-N
XLogP-1.18
TPSA138.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate?
The IUPAC name of (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate (CID 10081750) is (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate.
What is the SMILES notation for (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate?
The canonical SMILES for (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate is Nc1[nH]c(=O)ncc1OP(=O)(O)O.
What is the InChIKey of (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate?
The InChIKey is BYKIILJOZCNWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N3O5P/c5-3-2(12-13(9,10)11)1-6-4(8)7-3/h1H,(H2,9,10,11)(H3,5,6,7,8).
What are the key properties of (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate?
(6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate has a molecular weight of 207.08 g/mol, XLogP of -1.18, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-oxo-1H-pyrimidin-5-yl) dihydrogen phosphate is sourced from PubChem (CID 10081750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).