2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one

C4H5N2O4PS — CID 151836726

IUPAC2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one
SMILESO=c1ccnc(OP(O)(O)=S)[nH]1
InChIInChI=1S/C4H5N2O4PS/c7-3-1-2-5-4(6-3)10-11(8,9)12/h1-2H,(H,5,6,7)(H2,8,9,12)
InChIKeySFUWMJUGOGNYSU-UHFFFAOYSA-N
MW208.13 g/mol
LogP-0.64
Rot. Bonds2

About 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one

2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one (PubChem CID 151836726) has the molecular formula C4H5N2O4PS and a molecular weight of 208.13 g/mol. Its IUPAC name is 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one
PubChem CID151836726
Molecular FormulaC4H5N2O4PS
Molecular Weight208.13 g/mol
Exact Mass207.97
IUPAC Name2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one
SMILESO=c1ccnc(OP(O)(O)=S)[nH]1
InChIInChI=1S/C4H5N2O4PS/c7-3-1-2-5-4(6-3)10-11(8,9)12/h1-2H,(H,5,6,7)(H2,8,9,12)
InChIKeySFUWMJUGOGNYSU-UHFFFAOYSA-N
XLogP-0.64
TPSA95.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one (CID 151836726) is 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one is O=c1ccnc(OP(O)(O)=S)[nH]1.
What is the InChIKey of 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one?
The InChIKey is SFUWMJUGOGNYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O4PS/c7-3-1-2-5-4(6-3)10-11(8,9)12/h1-2H,(H,5,6,7)(H2,8,9,12).
What are the key properties of 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one?
2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one has a molecular weight of 208.13 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dihydroxyphosphinothioyloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 151836726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).