4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine

C20H21F3N6O3S — CID 166843238

IUPAC4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine
SMILESCNS(=O)(=O)NCCOc1nc(N)nc(-c2ccccc2)c1-c1cc(C)nc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N6O3S/c1-12-10-14(11-15(27-12)20(21,22)23)16-17(13-6-4-3-5-7-13)28-19(24)29-18(16)32-9-8-26-33(30,31)25-2/h3-7,10-11,25-26H,8-9H2,1-2H3,(H2,24,28,29)
InChIKeyROEIGACQJMVRIZ-UHFFFAOYSA-N
MW482.49 g/mol
LogP2.55
Rot. Bonds8

About 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine

4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine (PubChem CID 166843238) has the molecular formula C20H21F3N6O3S and a molecular weight of 482.49 g/mol. Its IUPAC name is 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine
PubChem CID166843238
Molecular FormulaC20H21F3N6O3S
Molecular Weight482.49 g/mol
Exact Mass482.13
IUPAC Name4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine
SMILESCNS(=O)(=O)NCCOc1nc(N)nc(-c2ccccc2)c1-c1cc(C)nc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N6O3S/c1-12-10-14(11-15(27-12)20(21,22)23)16-17(13-6-4-3-5-7-13)28-19(24)29-18(16)32-9-8-26-33(30,31)25-2/h3-7,10-11,25-26H,8-9H2,1-2H3,(H2,24,28,29)
InChIKeyROEIGACQJMVRIZ-UHFFFAOYSA-N
XLogP2.55
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine 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 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine (CID 166843238) is 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine is CNS(=O)(=O)NCCOc1nc(N)nc(-c2ccccc2)c1-c1cc(C)nc(C(F)(F)F)c1.
What is the InChIKey of 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine?
The InChIKey is ROEIGACQJMVRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O3S/c1-12-10-14(11-15(27-12)20(21,22)23)16-17(13-6-4-3-5-7-13)28-19(24)29-18(16)32-9-8-26-33(30,31)25-2/h3-7,10-11,25-26H,8-9H2,1-2H3,(H2,24,28,29).
What are the key properties of 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine?
4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine has a molecular weight of 482.49 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylsulfamoylamino)ethoxy]-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 166843238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).