2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide

C6H7N2O3P — CID 166551777

IUPAC2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide
SMILESCP1(=O)OCc2ncncc2O1
InChIInChI=1S/C6H7N2O3P/c1-12(9)10-3-5-6(11-12)2-7-4-8-5/h2,4H,3H2,1H3
InChIKeyVDMCWRGVDZLRNR-UHFFFAOYSA-N
MW186.11 g/mol
LogP1.21
Rot. Bonds

About 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide

2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide (PubChem CID 166551777) has the molecular formula C6H7N2O3P and a molecular weight of 186.11 g/mol. Its IUPAC name is 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide.

Molecular Properties

Compound Name2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide
PubChem CID166551777
Molecular FormulaC6H7N2O3P
Molecular Weight186.11 g/mol
Exact Mass186.02
IUPAC Name2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide
SMILESCP1(=O)OCc2ncncc2O1
InChIInChI=1S/C6H7N2O3P/c1-12(9)10-3-5-6(11-12)2-7-4-8-5/h2,4H,3H2,1H3
InChIKeyVDMCWRGVDZLRNR-UHFFFAOYSA-N
XLogP1.21
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.11
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3H-dioxolo[4,3-d]pyrimidine
CID 87084704
5,7-dihydrocyclopenta[d]pyrimidin-6-one
CID 158368884
spiro[7H-furo[3,2-d]pyrimidine-6,4'-piperidine]
CID 163289339
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone
CID 154742387
2,4-diazabicyclo[4.1.0]hepta-1,3,5-triene;methyl acetate
CID 174493888
6,7-dihydrothieno[3,2-d]pyrimidine 5-oxide
CID 91522563
6H-pyrano[3,2-d]pyrimidine
CID 66624036
5-(diethylaminomethyl)pyrimidine-4-carboxylic acid
CID 3439616
8H-pyrido[4,3-d]pyrimidin-7-one
CID 67528187
6-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 59332229
7,8-dihydro-6H-pyrido[3,4-d]pyrimidin-5-one
CID 82417594
6,6-dimethyl-5,7-dihydropyrrolo[3,2-d]pyrimidine
CID 175273370

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide?
The IUPAC name of 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide (CID 166551777) is 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide.
What is the SMILES notation for 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide?
The canonical SMILES for 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide is CP1(=O)OCc2ncncc2O1.
What is the InChIKey of 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide?
The InChIKey is VDMCWRGVDZLRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O3P/c1-12(9)10-3-5-6(11-12)2-7-4-8-5/h2,4H,3H2,1H3.
What are the key properties of 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide?
2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide has a molecular weight of 186.11 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-[1,3,2]dioxaphosphinino[5,4-d]pyrimidine 2-oxide is sourced from PubChem (CID 166551777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).