2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine

C22H27N4O4PS — CID 155179951

IUPAC2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine
SMILESCOc1nc(P(C)(C)=O)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)ccn1
InChIInChI=1S/C22H27N4O4PS/c1-15(2)32(28,29)19-9-7-6-8-17(19)24-16-12-13-23-20(14-16)25-18-10-11-21(31(4,5)27)26-22(18)30-3/h6-15H,1-5H3,(H2,23,24,25)
InChIKeyJBFKMOXRPNEXRO-UHFFFAOYSA-N
MW474.52 g/mol
LogP4.40
Rot. Bonds8

About 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine

2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine (PubChem CID 155179951) has the molecular formula C22H27N4O4PS and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine
PubChem CID155179951
Molecular FormulaC22H27N4O4PS
Molecular Weight474.52 g/mol
Exact Mass474.15
IUPAC Name2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine
SMILESCOc1nc(P(C)(C)=O)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)ccn1
InChIInChI=1S/C22H27N4O4PS/c1-15(2)32(28,29)19-9-7-6-8-17(19)24-16-12-13-23-20(14-16)25-18-10-11-21(31(4,5)27)26-22(18)30-3/h6-15H,1-5H3,(H2,23,24,25)
InChIKeyJBFKMOXRPNEXRO-UHFFFAOYSA-N
XLogP4.40
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine
CID 67053387
2-N-(6-dimethylphosphoryl-4-ethyl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 143900180
2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-3-(trifluoromethyl)pyridine-2,4-diamine
CID 154377395
6-chloro-2-methyl-N-(2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 86668811
piperidin-1-yl-[3-[[4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]methanone
CID 118697510
6-chloro-3-N-(4-dimethylphosphoryl-2-fluorophenyl)-5-N-(2-propan-2-ylsulfonylphenyl)-1,2,4-triazine-3,5-diamine
CID 86668833
2-[(4-dimethylphosphoryl-2-methoxyphenyl)methyl]-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 118297993
6-chloro-3-N-(4-dimethylphosphoryl-2-ethylphenyl)-5-N-(2-propan-2-ylsulfonylphenyl)-1,2,4-triazine-3,5-diamine
CID 86668830
5-chloro-2-N-(7-methoxy-1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 129048445
2-chloro-5-methyl-N-(2-propan-2-ylsulfonylphenyl)pyridin-4-amine
CID 87250804
N-[3-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]phenyl]benzamide
CID 175186504
2-N-(2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 121320413

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine (CID 155179951) is 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine is COc1nc(P(C)(C)=O)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)ccn1.
What is the InChIKey of 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine?
The InChIKey is JBFKMOXRPNEXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N4O4PS/c1-15(2)32(28,29)19-9-7-6-8-17(19)24-16-12-13-23-20(14-16)25-18-10-11-21(31(4,5)27)26-22(18)30-3/h6-15H,1-5H3,(H2,23,24,25).
What are the key properties of 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine?
2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine has a molecular weight of 474.52 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 155179951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).