N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine

C14H12Cl2N4O2S — CID 175424607

IUPACN-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine
SMILESCc1cc2cccc(Nc3nc(Cl)ncc3Cl)c2n1S(C)(=O)=O
InChIInChI=1S/C14H12Cl2N4O2S/c1-8-6-9-4-3-5-11(12(9)20(8)23(2,21)22)18-13-10(15)7-17-14(16)19-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyNTGRPMZLZPORJY-UHFFFAOYSA-N
MW371.25 g/mol
LogP3.60
Rot. Bonds3

About N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine

N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine (PubChem CID 175424607) has the molecular formula C14H12Cl2N4O2S and a molecular weight of 371.25 g/mol. Its IUPAC name is N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine.

Molecular Properties

Compound NameN-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine
PubChem CID175424607
Molecular FormulaC14H12Cl2N4O2S
Molecular Weight371.25 g/mol
Exact Mass370.01
IUPAC NameN-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine
SMILESCc1cc2cccc(Nc3nc(Cl)ncc3Cl)c2n1S(C)(=O)=O
InChIInChI=1S/C14H12Cl2N4O2S/c1-8-6-9-4-3-5-11(12(9)20(8)23(2,21)22)18-13-10(15)7-17-14(16)19-13/h3-7H,1-2H3,(H,17,18,19)
InChIKeyNTGRPMZLZPORJY-UHFFFAOYSA-N
XLogP3.60
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1-methylsulfonylindol-7-amine
CID 175560812
2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
CID 86633907
2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 126685422
2,5-dichloro-N-(3-methylphenyl)pyrimidin-4-amine
CID 79632159
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluoro-N,N-dimethylbenzenesulfonamide
CID 87330247
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
N-[2-[(2,5-dichloropyrimidin-4-yl)amino]-5-methoxyphenyl]methanesulfonamide
CID 58236347
2-chloro-9-methyl-N-(1-methylsulfonylindol-7-yl)purin-6-amine
CID 175424570
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine?
The IUPAC name of N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine (CID 175424607) is N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine.
What is the SMILES notation for N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine?
The canonical SMILES for N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine is Cc1cc2cccc(Nc3nc(Cl)ncc3Cl)c2n1S(C)(=O)=O.
What is the InChIKey of N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine?
The InChIKey is NTGRPMZLZPORJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O2S/c1-8-6-9-4-3-5-11(12(9)20(8)23(2,21)22)18-13-10(15)7-17-14(16)19-13/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine?
N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine has a molecular weight of 371.25 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine is sourced from PubChem (CID 175424607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).