2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine

C16H17Cl2N9O2S — CID 59548288

IUPAC2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25)
InChIKeyKLMZZLVCEDUTEA-UHFFFAOYSA-N
MW470.35 g/mol
LogP2.49
Rot. Bonds6

About 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine

2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine (PubChem CID 59548288) has the molecular formula C16H17Cl2N9O2S and a molecular weight of 470.35 g/mol. Its IUPAC name is 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine
PubChem CID59548288
Molecular FormulaC16H17Cl2N9O2S
Molecular Weight470.35 g/mol
Exact Mass469.06
IUPAC Name2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine
SMILESCc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1
InChIInChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25)
InChIKeyKLMZZLVCEDUTEA-UHFFFAOYSA-N
XLogP2.49
TPSA151.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.35
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine?
The IUPAC name of 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine (CID 59548288) is 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine is Cc1nc(N)nc(-c2cc(Cl)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1.
What is the InChIKey of 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine?
The InChIKey is KLMZZLVCEDUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N9O2S/c1-8-22-15(25-16(19)23-8)11-4-9(17)6-21-14(11)24-10-5-12(13(18)20-7-10)26-30(28,29)27(2)3/h4-7,26H,1-3H3,(H,21,24)(H2,19,22,23,25).
What are the key properties of 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine?
2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine has a molecular weight of 470.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-chloro-2-[[6-chloro-5-(dimethylsulfamoylamino)-3-pyridinyl]amino]-3-pyridinyl]-6-methyl-1,3,5-triazine is sourced from PubChem (CID 59548288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).