6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine

C19H24N6O2S — CID 152759031

IUPAC6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C2=NC(N)(C(C)C)N=C(Nc3cccc(S(C)(=O)=O)c3)N2)n1
InChIInChI=1S/C19H24N6O2S/c1-12(2)19(20)24-17(16-10-5-7-13(3)21-16)23-18(25-19)22-14-8-6-9-15(11-14)28(4,26)27/h5-12H,20H2,1-4H3,(H2,22,23,24,25)
InChIKeyLUAGIPCCPOUKNK-UHFFFAOYSA-N
MW400.51 g/mol
LogP1.88
Rot. Bonds4

About 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine

6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine (PubChem CID 152759031) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine
PubChem CID152759031
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(C2=NC(N)(C(C)C)N=C(Nc3cccc(S(C)(=O)=O)c3)N2)n1
InChIInChI=1S/C19H24N6O2S/c1-12(2)19(20)24-17(16-10-5-7-13(3)21-16)23-18(25-19)22-14-8-6-9-15(11-14)28(4,26)27/h5-12H,20H2,1-4H3,(H2,22,23,24,25)
InChIKeyLUAGIPCCPOUKNK-UHFFFAOYSA-N
XLogP1.88
TPSA121.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,3,5-triazine-2,4-diamine
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2-methyl-N-(6-methyl-2-pyridinyl)-5-(3-methylsulfonylanilino)-1,3-thiazole-4-carboxamide
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4-(6-bromo-1,3-benzodioxol-4-yl)-2-N-(3-methylsulfonylphenyl)-1H-pyrimidine-2,4-diamine
CID 66931292
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CID 11647672
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CID 8994869
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CID 173212534
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CID 158460632
N-(2-methylbutyl)-3-methylsulfonylaniline
CID 60924452
2-[1-(3-methylsulfonylanilino)ethyl]benzene-1,3-diol
CID 107710778
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Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine (CID 152759031) is 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine is Cc1cccc(C2=NC(N)(C(C)C)N=C(Nc3cccc(S(C)(=O)=O)c3)N2)n1.
What is the InChIKey of 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is LUAGIPCCPOUKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-12(2)19(20)24-17(16-10-5-7-13(3)21-16)23-18(25-19)22-14-8-6-9-15(11-14)28(4,26)27/h5-12H,20H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine?
6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 400.51 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-2-pyridinyl)-2-N-(3-methylsulfonylphenyl)-4-propan-2-yl-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 152759031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).