2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide

C24H25N7O2S — CID 167532002

IUPAC2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4ccc(NS(=O)(=O)CCN)cc4)n3)n2)n1
InChIInChI=1S/C24H25N7O2S/c1-17-3-2-4-22(28-17)24-27-13-10-21(30-24)16-20-9-12-26-23(29-20)15-18-5-7-19(8-6-18)31-34(32,33)14-11-25/h2-10,12-13,31H,11,14-16,25H2,1H3
InChIKeyACCXUONWKWONDS-UHFFFAOYSA-N
MW475.58 g/mol
LogP2.52
Rot. Bonds9

About 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide

2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide (PubChem CID 167532002) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide
PubChem CID167532002
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC Name2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide
SMILESCc1cccc(-c2nccc(Cc3ccnc(Cc4ccc(NS(=O)(=O)CCN)cc4)n3)n2)n1
InChIInChI=1S/C24H25N7O2S/c1-17-3-2-4-22(28-17)24-27-13-10-21(30-24)16-20-9-12-26-23(29-20)15-18-5-7-19(8-6-18)31-34(32,33)14-11-25/h2-10,12-13,31H,11,14-16,25H2,1H3
InChIKeyACCXUONWKWONDS-UHFFFAOYSA-N
XLogP2.52
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide with MolForge

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Related Compounds

N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]-3H-pyrrole-5-sulfonamide
CID 167599037
N-methyl-1-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]sulfonylpiperidin-4-amine
CID 167612736
2-[[4-(aminomethyl)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167629644
2-(6-methyl-2-pyridinyl)-4-[[2-[(4-piperazin-1-ylphenyl)methyl]pyrimidin-4-yl]methyl]pyrimidine
CID 167701142
3-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]pyrazol-1-yl]propan-1-amine
CID 167697841
2-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167569287
2-(6-methyl-2-pyridinyl)-4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)methyl]pyrimidin-4-yl]methyl]pyrimidine
CID 167706512
4-methyl-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenyl]piperazine-1-carboxamide
CID 167564889
2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167666790
2-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]methyl]phenoxy]ethanol
CID 167544514
2-[[4-[(3-amino-3-methylazetidin-1-yl)methyl]phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
CID 167532353
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide (CID 167532002) is 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide is Cc1cccc(-c2nccc(Cc3ccnc(Cc4ccc(NS(=O)(=O)CCN)cc4)n3)n2)n1.
What is the InChIKey of 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide?
The InChIKey is ACCXUONWKWONDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S/c1-17-3-2-4-22(28-17)24-27-13-10-21(30-24)16-20-9-12-26-23(29-20)15-18-5-7-19(8-6-18)31-34(32,33)14-11-25/h2-10,12-13,31H,11,14-16,25H2,1H3.
What are the key properties of 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide?
2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide has a molecular weight of 475.58 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]methyl]pyrimidin-2-yl]methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 167532002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).