5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine

C23H23N5O3S — CID 146177523

IUPAC5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)Cc3ccc4[nH]ccc4c3)c2)cn1
InChIInChI=1S/C23H23N5O3S/c24-23-26-13-19(14-27-23)18-10-20(28-5-7-31-8-6-28)12-21(11-18)32(29,30)15-16-1-2-22-17(9-16)3-4-25-22/h1-4,9-14,25H,5-8,15H2,(H2,24,26,27)
InChIKeyXJDISKLIAOIKHD-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.02
Rot. Bonds5

About 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine

5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine (PubChem CID 146177523) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine
PubChem CID146177523
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)Cc3ccc4[nH]ccc4c3)c2)cn1
InChIInChI=1S/C23H23N5O3S/c24-23-26-13-19(14-27-23)18-10-20(28-5-7-31-8-6-28)12-21(11-18)32(29,30)15-16-1-2-22-17(9-16)3-4-25-22/h1-4,9-14,25H,5-8,15H2,(H2,24,26,27)
InChIKeyXJDISKLIAOIKHD-UHFFFAOYSA-N
XLogP3.02
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[[3-(2-aminopyrimidin-5-yl)-5-morpholin-4-ylphenyl]sulfonylmethyl]anilino]-2-methylpropan-2-ol
CID 146177462
4-[3-benzylsulfonyl-5-[2-(cyclopropylmethyl)pyrimidin-5-yl]phenyl]morpholine
CID 161293393
5-[3-(1H-indol-3-ylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 146177497
5-[3-(4-isocyanophenyl)sulfonyl-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 159472513
3-[3-(2-aminopyrimidin-5-yl)-5-morpholin-4-ylphenyl]sulfonylazetidine-1-carboxamide
CID 146177464
5-[3-(1-tert-butylazetidin-3-yl)sulfonyl-5-morpholin-4-ylphenyl]pyrimidin-2-amine
CID 175086964
1-[3-[3-(2-aminopyrimidin-5-yl)-5-morpholin-4-ylphenyl]sulfonylazetidin-1-yl]-2,2-dimethylpropan-1-one
CID 146177471
7-[3-[(4-fluorophenyl)methylsulfonyl]-5-morpholin-4-ylphenyl]-4H-chromen-3-one
CID 161367741
6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 24794753
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
5-(ethylsulfonylmethyl)-1H-indole
CID 67811404
N-(1H-indol-5-ylmethyl)morpholin-4-amine;hydrochloride
CID 17221797

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine?
The IUPAC name of 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine (CID 146177523) is 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine is Nc1ncc(-c2cc(N3CCOCC3)cc(S(=O)(=O)Cc3ccc4[nH]ccc4c3)c2)cn1.
What is the InChIKey of 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine?
The InChIKey is XJDISKLIAOIKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c24-23-26-13-19(14-27-23)18-10-20(28-5-7-31-8-6-28)12-21(11-18)32(29,30)15-16-1-2-22-17(9-16)3-4-25-22/h1-4,9-14,25H,5-8,15H2,(H2,24,26,27).
What are the key properties of 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine?
5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine has a molecular weight of 449.54 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-indol-5-ylmethylsulfonyl)-5-morpholin-4-ylphenyl]pyrimidin-2-amine is sourced from PubChem (CID 146177523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).