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

C18H21N7O3S — CID 59548255

IUPAC2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C18H21N7O3S/c1-10-22-16(25-17(19)23-10)14-5-11(18(2,3)26)7-21-15(14)24-12-6-13(9-20-8-12)29(4,27)28/h5-9,26H,1-4H3,(H,21,24)(H2,19,22,23,25)
InChIKeyRFOXDJCJLFNLBY-UHFFFAOYSA-N
MW415.48 g/mol
LogP1.59
Rot. Bonds5

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

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (PubChem CID 59548255) has the molecular formula C18H21N7O3S and a molecular weight of 415.48 g/mol. Its IUPAC name is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
PubChem CID59548255
Molecular FormulaC18H21N7O3S
Molecular Weight415.48 g/mol
Exact Mass415.14
IUPAC Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol
SMILESCc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C18H21N7O3S/c1-10-22-16(25-17(19)23-10)14-5-11(18(2,3)26)7-21-15(14)24-12-6-13(9-20-8-12)29(4,27)28/h5-9,26H,1-4H3,(H,21,24)(H2,19,22,23,25)
InChIKeyRFOXDJCJLFNLBY-UHFFFAOYSA-N
XLogP1.59
TPSA156.87 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 51.59
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-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol (CID 59548255) is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-methylsulfonyl-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-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is Cc1nc(N)nc(-c2cc(C(C)(C)O)cnc2Nc2cncc(S(C)(=O)=O)c2)n1.
What is the InChIKey of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
The InChIKey is RFOXDJCJLFNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3S/c1-10-22-16(25-17(19)23-10)14-5-11(18(2,3)26)7-21-15(14)24-12-6-13(9-20-8-12)29(4,27)28/h5-9,26H,1-4H3,(H,21,24)(H2,19,22,23,25).
What are the key properties of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol?
2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[(5-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol has a molecular weight of 415.48 g/mol, XLogP of 1.59, 5 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-methylsulfonyl-3-pyridinyl)amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 59548255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).