N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine

C23H21N5O2S — CID 67330049

IUPACN-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine
SMILESCNc1cc(-c2cncc(-c3cccc(S(C)(=O)=O)c3)c2)nc(-c2cccc(C)n2)n1
InChIInChI=1S/C23H21N5O2S/c1-15-6-4-9-20(26-15)23-27-21(12-22(24-2)28-23)18-10-17(13-25-14-18)16-7-5-8-19(11-16)31(3,29)30/h4-14H,1-3H3,(H,24,27,28)
InChIKeyFMTHGCKEGYYYEF-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.02
Rot. Bonds5

About N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine

N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine (PubChem CID 67330049) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine
PubChem CID67330049
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine
SMILESCNc1cc(-c2cncc(-c3cccc(S(C)(=O)=O)c3)c2)nc(-c2cccc(C)n2)n1
InChIInChI=1S/C23H21N5O2S/c1-15-6-4-9-20(26-15)23-27-21(12-22(24-2)28-23)18-10-17(13-25-14-18)16-7-5-8-19(11-16)31(3,29)30/h4-14H,1-3H3,(H,24,27,28)
InChIKeyFMTHGCKEGYYYEF-UHFFFAOYSA-N
XLogP4.02
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine (CID 67330049) is N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine is CNc1cc(-c2cncc(-c3cccc(S(C)(=O)=O)c3)c2)nc(-c2cccc(C)n2)n1.
What is the InChIKey of N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine?
The InChIKey is FMTHGCKEGYYYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-15-6-4-9-20(26-15)23-27-21(12-22(24-2)28-23)18-10-17(13-25-14-18)16-7-5-8-19(11-16)31(3,29)30/h4-14H,1-3H3,(H,24,27,28).
What are the key properties of N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine?
N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine has a molecular weight of 431.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-2-pyridinyl)-6-[5-(3-methylsulfonylphenyl)-3-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 67330049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).