2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine

C23H28N3O4PS — CID 67053387

IUPAC2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine
SMILESCOc1cc(P(C)(C)=O)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)ccn1
InChIInChI=1S/C23H28N3O4PS/c1-16(2)32(28,29)22-9-7-6-8-20(22)25-17-12-13-24-23(14-17)26-19-11-10-18(31(4,5)27)15-21(19)30-3/h6-16H,1-5H3,(H2,24,25,26)
InChIKeySUJPZHWLSRDGPA-UHFFFAOYSA-N
MW473.54 g/mol
LogP5.01
Rot. Bonds8

About 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine

2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine (PubChem CID 67053387) has the molecular formula C23H28N3O4PS and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine
PubChem CID67053387
Molecular FormulaC23H28N3O4PS
Molecular Weight473.54 g/mol
Exact Mass473.15
IUPAC Name2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine
SMILESCOc1cc(P(C)(C)=O)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)ccn1
InChIInChI=1S/C23H28N3O4PS/c1-16(2)32(28,29)22-9-7-6-8-20(22)25-17-12-13-24-23(14-17)26-19-11-10-18(31(4,5)27)15-21(19)30-3/h6-16H,1-5H3,(H2,24,25,26)
InChIKeySUJPZHWLSRDGPA-UHFFFAOYSA-N
XLogP5.01
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(6-dimethylphosphoryl-2-methoxy-3-pyridinyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine
CID 155179951
2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-3-(trifluoromethyl)pyridine-2,4-diamine
CID 154377395
2-[(4-dimethylphosphoryl-2-methoxyphenyl)methyl]-N-(2-propan-2-ylsulfonylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 118297993
CID 88854431
CID 88854431
4-N-(4-dimethylphosphoryl-2-propan-2-ylsulfonylphenyl)-6-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-4,6-diamine
CID 67052720
6-chloro-3-N-(4-dimethylphosphoryl-2-fluorophenyl)-5-N-(2-propan-2-ylsulfonylphenyl)-1,2,4-triazine-3,5-diamine
CID 86668833
6-chloro-3-N-(4-dimethylphosphoryl-2-ethylphenyl)-5-N-(2-propan-2-ylsulfonylphenyl)-1,2,4-triazine-3,5-diamine
CID 86668830
N-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2-(dimethylamino)acetamide
CID 145195384
4-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)pyrimidin-2-amine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-4-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-(4-dimethylphosphorylphenyl)-5-(trifluoromethyl)-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 160727209
5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-ylsulfonylphenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine;5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-propan-2-yloxyphenyl]pyrimidine-2,4-diamine;2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-5-methyl-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 158562660
N-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]-2-(diethylamino)acetamide
CID 145195406
4-[[4-amino-5-chloro-6-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-N-cyclohexyl-3-methoxybenzamide
CID 143775055

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine (CID 67053387) is 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine is COc1cc(P(C)(C)=O)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)ccn1.
What is the InChIKey of 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine?
The InChIKey is SUJPZHWLSRDGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N3O4PS/c1-16(2)32(28,29)22-9-7-6-8-20(22)25-17-12-13-24-23(14-17)26-19-11-10-18(31(4,5)27)15-21(19)30-3/h6-16H,1-5H3,(H2,24,25,26).
What are the key properties of 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine?
2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine has a molecular weight of 473.54 g/mol, XLogP of 5.01, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyridine-2,4-diamine is sourced from PubChem (CID 67053387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).