N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine

C26H30N4O3S — CID 158428796

IUPACN-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine
SMILESCC1=Cc2cc(Oc3ccnc(Nc4cccc(CS(=O)(=O)CCCN(C)C)c4)n3)ccc2C1
InChIInChI=1S/C26H30N4O3S/c1-19-14-21-8-9-24(17-22(21)15-19)33-25-10-11-27-26(29-25)28-23-7-4-6-20(16-23)18-34(31,32)13-5-12-30(2)3/h4,6-11,15-17H,5,12-14,18H2,1-3H3,(H,27,28,29)
InChIKeyHBJXTABRJYVCPS-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.84
Rot. Bonds10

About N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine

N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine (PubChem CID 158428796) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine
PubChem CID158428796
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine
SMILESCC1=Cc2cc(Oc3ccnc(Nc4cccc(CS(=O)(=O)CCCN(C)C)c4)n3)ccc2C1
InChIInChI=1S/C26H30N4O3S/c1-19-14-21-8-9-24(17-22(21)15-19)33-25-10-11-27-26(29-25)28-23-7-4-6-20(16-23)18-34(31,32)13-5-12-30(2)3/h4,6-11,15-17H,5,12-14,18H2,1-3H3,(H,27,28,29)
InChIKeyHBJXTABRJYVCPS-UHFFFAOYSA-N
XLogP4.84
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-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

2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine
CID 159002538
N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine
CID 157345257
2-ethoxy-5-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 56575896
1-N'-[4-[2-[3-(methylsulfonylmethyl)anilino]pyrimidin-4-yl]oxyphenyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 90644943
N-[3-(dimethylamino)propyl]-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109301921
4-N-[3-(dimethylamino)propyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 91504160
4-[4-(methoxyamino)-3-methylphenoxy]-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 143053924
N-methyl-4-[[3-[[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperazine-1-carboxamide
CID 46182417
4-(4-fluorophenoxy)-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine
CID 133398012
(E)-N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[3-(2-methoxyethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyphenyl]pyrimidin-2-amine;3-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylpropan-1-one;2-[1-[[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]ethanol;2-methyl-5-[2-[[3-(methylsulfonylmethyl)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole;sulfane
CID 157385006
[3-[[4-(2-methoxyphenyl)pyrimidin-2-yl]amino]phenyl]methanesulfonamide
CID 25022388
N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine
CID 133285444

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine?
The IUPAC name of N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine (CID 158428796) is N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine.
What is the SMILES notation for N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine?
The canonical SMILES for N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine is CC1=Cc2cc(Oc3ccnc(Nc4cccc(CS(=O)(=O)CCCN(C)C)c4)n3)ccc2C1.
What is the InChIKey of N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine?
The InChIKey is HBJXTABRJYVCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-19-14-21-8-9-24(17-22(21)15-19)33-25-10-11-27-26(29-25)28-23-7-4-6-20(16-23)18-34(31,32)13-5-12-30(2)3/h4,6-11,15-17H,5,12-14,18H2,1-3H3,(H,27,28,29).
What are the key properties of N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine?
N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine has a molecular weight of 478.62 g/mol, XLogP of 4.84, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(dimethylamino)propylsulfonylmethyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine is sourced from PubChem (CID 158428796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).