methyl dihydrogen phosphate;pyrimidine

C5H9N2O4P — CID 138472642

IUPACmethyl dihydrogen phosphate;pyrimidine
SMILESCOP(=O)(O)O.c1cncnc1
InChIInChI=1S/C4H4N2.CH5O4P/c1-2-5-4-6-3-1;1-5-6(2,3)4/h1-4H;1H3,(H2,2,3,4)
InChIKeyJQVGRSQDLLYMHY-UHFFFAOYSA-N
MW192.11 g/mol
LogP0.20
Rot. Bonds1

About methyl dihydrogen phosphate;pyrimidine

methyl dihydrogen phosphate;pyrimidine (PubChem CID 138472642) has the molecular formula C5H9N2O4P and a molecular weight of 192.11 g/mol. Its IUPAC name is methyl dihydrogen phosphate;pyrimidine.

Molecular Properties

Compound Namemethyl dihydrogen phosphate;pyrimidine
PubChem CID138472642
Molecular FormulaC5H9N2O4P
Molecular Weight192.11 g/mol
Exact Mass192.03
IUPAC Namemethyl dihydrogen phosphate;pyrimidine
SMILESCOP(=O)(O)O.c1cncnc1
InChIInChI=1S/C4H4N2.CH5O4P/c1-2-5-4-6-3-1;1-5-6(2,3)4/h1-4H;1H3,(H2,2,3,4)
InChIKeyJQVGRSQDLLYMHY-UHFFFAOYSA-N
XLogP0.20
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl hydrogen phosphate;pyridine
CID 174868032
carbanylium;methyl dihydrogen phosphate
CID 165007935
methyl hydrogen sulfate;pyrimidine
CID 173117668
cobalt;methyl dihydrogen phosphate;nickel
CID 175031346
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
N,N-dimethylmethanamine;methyl dihydrogen phosphate
CID 161217786
methanesulfonic acid;pyrimidine
CID 19894525
hypochlorous acid;pyrimidine
CID 161391603
copper;pyrimidine
CID 140826173
iron;pyrimidine
CID 160776334
propane;bis(pyrimidine)
CID 91609456
nitroxyl;pyrimidine;hydrochloride
CID 174544758

Frequently Asked Questions

What is the IUPAC name of methyl dihydrogen phosphate;pyrimidine?
The IUPAC name of methyl dihydrogen phosphate;pyrimidine (CID 138472642) is methyl dihydrogen phosphate;pyrimidine.
What is the SMILES notation for methyl dihydrogen phosphate;pyrimidine?
The canonical SMILES for methyl dihydrogen phosphate;pyrimidine is COP(=O)(O)O.c1cncnc1.
What is the InChIKey of methyl dihydrogen phosphate;pyrimidine?
The InChIKey is JQVGRSQDLLYMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2.CH5O4P/c1-2-5-4-6-3-1;1-5-6(2,3)4/h1-4H;1H3,(H2,2,3,4).
What are the key properties of methyl dihydrogen phosphate;pyrimidine?
methyl dihydrogen phosphate;pyrimidine has a molecular weight of 192.11 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl dihydrogen phosphate;pyrimidine is sourced from PubChem (CID 138472642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).