[[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid

C11H22N3O3PS — CID 57164687

IUPAC[[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid
SMILESCCN(CC)c1nc(C)cc(S(C)(C)P(=O)(O)O)n1
InChIInChI=1S/C11H22N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)19(4,5)18(15,16)17/h8H,6-7H2,1-5H3,(H2,15,16,17)
InChIKeyHUSVZQKTICGYEQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.15
Rot. Bonds5

About [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid

[[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid (PubChem CID 57164687) has the molecular formula C11H22N3O3PS and a molecular weight of 307.36 g/mol. Its IUPAC name is [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid.

Molecular Properties

Compound Name[[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid
PubChem CID57164687
Molecular FormulaC11H22N3O3PS
Molecular Weight307.36 g/mol
Exact Mass307.11
IUPAC Name[[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid
SMILESCCN(CC)c1nc(C)cc(S(C)(C)P(=O)(O)O)n1
InChIInChI=1S/C11H22N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)19(4,5)18(15,16)17/h8H,6-7H2,1-5H3,(H2,15,16,17)
InChIKeyHUSVZQKTICGYEQ-UHFFFAOYSA-N
XLogP2.15
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid?
The IUPAC name of [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid (CID 57164687) is [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid.
What is the SMILES notation for [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid?
The canonical SMILES for [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid is CCN(CC)c1nc(C)cc(S(C)(C)P(=O)(O)O)n1.
What is the InChIKey of [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid?
The InChIKey is HUSVZQKTICGYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)19(4,5)18(15,16)17/h8H,6-7H2,1-5H3,(H2,15,16,17).
What are the key properties of [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid?
[[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid has a molecular weight of 307.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(diethylamino)-6-methylpyrimidin-4-yl]-dimethyl-λ4-sulfanyl]phosphonic acid is sourced from PubChem (CID 57164687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).