4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine

C7H12N3O3P — CID 56945349

IUPAC4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine
SMILESCOP(=O)(OC)c1cc(C)nc(N)n1
InChIInChI=1S/C7H12N3O3P/c1-5-4-6(10-7(8)9-5)14(11,12-2)13-3/h4H,1-3H3,(H2,8,9,10)
InChIKeyPFDQKGDOAIPJOA-UHFFFAOYSA-N
MW217.17 g/mol
LogP0.48
Rot. Bonds3

About 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine

4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine (PubChem CID 56945349) has the molecular formula C7H12N3O3P and a molecular weight of 217.17 g/mol. Its IUPAC name is 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine
PubChem CID56945349
Molecular FormulaC7H12N3O3P
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine
SMILESCOP(=O)(OC)c1cc(C)nc(N)n1
InChIInChI=1S/C7H12N3O3P/c1-5-4-6(10-7(8)9-5)14(11,12-2)13-3/h4H,1-3H3,(H2,8,9,10)
InChIKeyPFDQKGDOAIPJOA-UHFFFAOYSA-N
XLogP0.48
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine (CID 56945349) is 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine is COP(=O)(OC)c1cc(C)nc(N)n1.
What is the InChIKey of 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine?
The InChIKey is PFDQKGDOAIPJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N3O3P/c1-5-4-6(10-7(8)9-5)14(11,12-2)13-3/h4H,1-3H3,(H2,8,9,10).
What are the key properties of 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine?
4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine has a molecular weight of 217.17 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethoxyphosphoryl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 56945349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).