2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol

C23H23N7O3S — CID 59548231

IUPAC2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol
SMILESCc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(S(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C23H23N7O3S/c1-14-27-21(30-22(24)28-14)19-9-15(23(2,3)31)11-26-20(19)29-16-10-18(13-25-12-16)34(32,33)17-7-5-4-6-8-17/h4-13,31H,1-3H3,(H,26,29)(H2,24,27,28,30)
InChIKeyIOYMOANGBJUQON-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.02
Rot. Bonds6

About 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol (PubChem CID 59548231) has the molecular formula C23H23N7O3S and a molecular weight of 477.55 g/mol. Its IUPAC name is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol
PubChem CID59548231
Molecular FormulaC23H23N7O3S
Molecular Weight477.55 g/mol
Exact Mass477.16
IUPAC Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol
SMILESCc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(S(=O)(=O)c3ccccc3)c2)n1
InChIInChI=1S/C23H23N7O3S/c1-14-27-21(30-22(24)28-14)19-9-15(23(2,3)31)11-26-20(19)29-16-10-18(13-25-12-16)34(32,33)17-7-5-4-6-8-17/h4-13,31H,1-3H3,(H,26,29)(H2,24,27,28,30)
InChIKeyIOYMOANGBJUQON-UHFFFAOYSA-N
XLogP3.02
TPSA156.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol (CID 59548231) is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol is Cc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(S(=O)(=O)c3ccccc3)c2)n1.
What is the InChIKey of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol?
The InChIKey is IOYMOANGBJUQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S/c1-14-27-21(30-22(24)28-14)19-9-15(23(2,3)31)11-26-20(19)29-16-10-18(13-25-12-16)34(32,33)17-7-5-4-6-8-17/h4-13,31H,1-3H3,(H,26,29)(H2,24,27,28,30).
What are the key properties of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol?
2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol has a molecular weight of 477.55 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[5-(benzenesulfonyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 59548231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).