N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine

C25H28N6O3S — CID 25097953

IUPACN-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1cc(N2CCOCC2)nc(-c2cc(S(C)(=O)=O)cc3[nH]ccc23)n1
InChIInChI=1S/C25H28N6O3S/c1-30(16-18-4-3-6-26-15-18)17-19-12-24(31-8-10-34-11-9-31)29-25(28-19)22-13-20(35(2,32)33)14-23-21(22)5-7-27-23/h3-7,12-15,27H,8-11,16-17H2,1-2H3
InChIKeyUHLUWFYRYCQHAK-UHFFFAOYSA-N
MW492.61 g/mol
LogP2.89
Rot. Bonds7

About N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine

N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 25097953) has the molecular formula C25H28N6O3S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID25097953
Molecular FormulaC25H28N6O3S
Molecular Weight492.61 g/mol
Exact Mass492.19
IUPAC NameN-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1cc(N2CCOCC2)nc(-c2cc(S(C)(=O)=O)cc3[nH]ccc23)n1
InChIInChI=1S/C25H28N6O3S/c1-30(16-18-4-3-6-26-15-18)17-19-12-24(31-8-10-34-11-9-31)29-25(28-19)22-13-20(35(2,32)33)14-23-21(22)5-7-27-23/h3-7,12-15,27H,8-11,16-17H2,1-2H3
InChIKeyUHLUWFYRYCQHAK-UHFFFAOYSA-N
XLogP2.89
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.61
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 25097952
N-[(2-chloro-6-morpholin-4-ylpyrimidin-4-yl)methyl]-N'-[[2-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-3-ylethane-1,2-diamine
CID 87545294
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
4-[6-(1H-indol-4-yl)-2-(2-pyridin-3-ylethyl)pyrimidin-4-yl]morpholine
CID 25097394
4-[2-[[ethyl(pyridin-3-yl)amino]methyl]-6-morpholin-4-ylpyrimidin-4-yl]-1H-indole-6-carboxamide
CID 25098500
4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937009
4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-indol-4-yl]pyrimidin-2-amine
CID 25109300
4-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-ylpyrimidin-2-yl]-1H-indole-6-carboxamide
CID 71584420
4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508140
N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
CID 67189129
4-[2-(1H-indol-4-yl)-6-(1-methylsulfinylcyclopropyl)pyrimidin-4-yl]morpholine
CID 142469063
4-(6-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpyrimidine-2-carboxamide
CID 68703986

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine (CID 25097953) is N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine is CN(Cc1cccnc1)Cc1cc(N2CCOCC2)nc(-c2cc(S(C)(=O)=O)cc3[nH]ccc23)n1.
What is the InChIKey of N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is UHLUWFYRYCQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3S/c1-30(16-18-4-3-6-26-15-18)17-19-12-24(31-8-10-34-11-9-31)29-25(28-19)22-13-20(35(2,32)33)14-23-21(22)5-7-27-23/h3-7,12-15,27H,8-11,16-17H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine?
N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 492.61 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(6-methylsulfonyl-1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 25097953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).