2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

C19H26N6O3S — CID 91971392

IUPAC2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc2cnc(Nc3ccnc(OCC(C)(C)S(C)(=O)=O)n3)cc2n1C(C)C
InChIInChI=1S/C19H26N6O3S/c1-12(2)25-13(3)22-14-10-21-17(9-15(14)25)23-16-7-8-20-18(24-16)28-11-19(4,5)29(6,26)27/h7-10,12H,11H2,1-6H3,(H,20,21,23,24)
InChIKeySHYWETJFHVMCJS-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.06
Rot. Bonds7

About 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine

2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (PubChem CID 91971392) has the molecular formula C19H26N6O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
PubChem CID91971392
Molecular FormulaC19H26N6O3S
Molecular Weight418.52 g/mol
Exact Mass418.18
IUPAC Name2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine
SMILESCc1nc2cnc(Nc3ccnc(OCC(C)(C)S(C)(=O)=O)n3)cc2n1C(C)C
InChIInChI=1S/C19H26N6O3S/c1-12(2)25-13(3)22-14-10-21-17(9-15(14)25)23-16-7-8-20-18(24-16)28-11-19(4,5)29(6,26)27/h7-10,12H,11H2,1-6H3,(H,20,21,23,24)
InChIKeySHYWETJFHVMCJS-UHFFFAOYSA-N
XLogP3.06
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ceralasertib
CID 121596701
4-[(4-{2-Methylimidazo[1,2-a]pyridin-3-yl}pyrimidin-2-yl)amino]benzene-1-sulfonamide
CID 6539011
Sulfonamide deriv. 3a
CID 6539024
Sulfonamide deriv. 3b
CID 6539025
Sulfonamide deriv. 3c
CID 6539026
N-(2-(dimethylamino)ethyl)-4-((4-(imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-yl)amino)benzene-1-sulfonamide
CID 6539027
Sulfonamide deriv. 3e
CID 6539028
2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide
CID 76280903
1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 90178371
N-{2-[4-(2-Aminoethyl)-4-Methoxypiperidin-1-Yl]pyrimidin-4-Yl}-2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 90183483
N-[2-[(3r,4s)-3-Fluoranyl-4-Methoxy-Piperidin-1-Yl]pyrimidin-4-Yl]-2-Methyl-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine
CID 90183560
N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine
CID 90183696

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine (CID 91971392) is 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is Cc1nc2cnc(Nc3ccnc(OCC(C)(C)S(C)(=O)=O)n3)cc2n1C(C)C.
What is the InChIKey of 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is SHYWETJFHVMCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3S/c1-12(2)25-13(3)22-14-10-21-17(9-15(14)25)23-16-7-8-20-18(24-16)28-11-19(4,5)29(6,26)27/h7-10,12H,11H2,1-6H3,(H,20,21,23,24).
What are the key properties of 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine?
2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 418.52 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2-methyl-2-methylsulfonylpropoxy)pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 91971392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).