5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine

C13H13N5O2S — CID 139535408

IUPAC5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)n1ccc2cccc(-c3cnc(N)nc3N)c21
InChIInChI=1S/C13H13N5O2S/c1-21(19,20)18-6-5-8-3-2-4-9(11(8)18)10-7-16-13(15)17-12(10)14/h2-7H,1H3,(H4,14,15,16,17)
InChIKeyZHBBJPOWTDQZIN-UHFFFAOYSA-N
MW303.35 g/mol
LogP1.07
Rot. Bonds2

About 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine

5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine (PubChem CID 139535408) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine
PubChem CID139535408
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)n1ccc2cccc(-c3cnc(N)nc3N)c21
InChIInChI=1S/C13H13N5O2S/c1-21(19,20)18-6-5-8-3-2-4-9(11(8)18)10-7-16-13(15)17-12(10)14/h2-7H,1H3,(H4,14,15,16,17)
InChIKeyZHBBJPOWTDQZIN-UHFFFAOYSA-N
XLogP1.07
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-(4-amino-2-ethyl-1H-imidazo(4,5c)quinolin-1-yl)butyl)methanesulfonamide
CID 10309114
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
9H-Pyrido(2,3-b)indole
CID 67486
7-Methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 467889
N-(3-{[(5-Cyano-2-Phenyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl)amino]methyl}pyridin-2-Yl)-N-Methylmethanesulfonamide
CID 71277531
N-(4-((2-cyano-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)methyl)phenyl)methanesulfonamide
CID 44444222
N-[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 57095243
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 1482877
1-(4,6-dimethylpyrimidin-2-yl)-2-[2-(1H-indol-3-yl)ethyl]guanidine
CID 2947810
DC-BPi-03
CID 155903113
6-[1-[3-(dimethylamino)propyl]indol-5-yl]-2-methylsulfonyl-N-propyl-pyrimidin-4-amine
CID 155903114

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine (CID 139535408) is 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine is CS(=O)(=O)n1ccc2cccc(-c3cnc(N)nc3N)c21.
What is the InChIKey of 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine?
The InChIKey is ZHBBJPOWTDQZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-21(19,20)18-6-5-8-3-2-4-9(11(8)18)10-7-16-13(15)17-12(10)14/h2-7H,1H3,(H4,14,15,16,17).
What are the key properties of 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine?
5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine has a molecular weight of 303.35 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylindol-7-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 139535408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).