4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

C24H25N7O3S — CID 66600304

IUPAC4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(CCc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C24H25N7O3S/c1-15-28-23(31-24(25)29-15)20-12-17(5-4-16-6-9-19(10-7-16)35(3,32)33)13-27-22(20)30-18-8-11-21(34-2)26-14-18/h6-14H,4-5H2,1-3H3,(H,27,30)(H2,25,28,29,31)
InChIKeyKGAJIYREVHKDPB-UHFFFAOYSA-N
MW491.58 g/mol
LogP3.16
Rot. Bonds8

About 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine

4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (PubChem CID 66600304) has the molecular formula C24H25N7O3S and a molecular weight of 491.58 g/mol. Its IUPAC name is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
PubChem CID66600304
Molecular FormulaC24H25N7O3S
Molecular Weight491.58 g/mol
Exact Mass491.17
IUPAC Name4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2ncc(CCc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1
InChIInChI=1S/C24H25N7O3S/c1-15-28-23(31-24(25)29-15)20-12-17(5-4-16-6-9-19(10-7-16)35(3,32)33)13-27-22(20)30-18-8-11-21(34-2)26-14-18/h6-14H,4-5H2,1-3H3,(H,27,30)(H2,25,28,29,31)
InChIKeyKGAJIYREVHKDPB-UHFFFAOYSA-N
XLogP3.16
TPSA145.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.58
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine (CID 66600304) is 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is COc1ccc(Nc2ncc(CCc3ccc(S(C)(=O)=O)cc3)cc2-c2nc(C)nc(N)n2)cn1.
What is the InChIKey of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is KGAJIYREVHKDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3S/c1-15-28-23(31-24(25)29-15)20-12-17(5-4-16-6-9-19(10-7-16)35(3,32)33)13-27-22(20)30-18-8-11-21(34-2)26-14-18/h6-14H,4-5H2,1-3H3,(H,27,30)(H2,25,28,29,31).
What are the key properties of 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine?
4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 491.58 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-methoxy-3-pyridinyl)amino]-5-[2-(4-methylsulfonylphenyl)ethyl]-3-pyridinyl]-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66600304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).