6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine

C18H23N5O2S — CID 164625155

IUPAC6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc3c(ccn3CCN(C)C)c2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C18H23N5O2S/c1-19-17-12-15(20-18(21-17)26(4,24)25)13-5-6-16-14(11-13)7-8-23(16)10-9-22(2)3/h5-8,11-12H,9-10H2,1-4H3,(H,19,20,21)
InChIKeyUUZAPZMPENKQKQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.11
Rot. Bonds6

About 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine

6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine (PubChem CID 164625155) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine
PubChem CID164625155
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc3c(ccn3CCN(C)C)c2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C18H23N5O2S/c1-19-17-12-15(20-18(21-17)26(4,24)25)13-5-6-16-14(11-13)7-8-23(16)10-9-22(2)3/h5-8,11-12H,9-10H2,1-4H3,(H,19,20,21)
InChIKeyUUZAPZMPENKQKQ-UHFFFAOYSA-N
XLogP2.11
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine (CID 164625155) is 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine is CNc1cc(-c2ccc3c(ccn3CCN(C)C)c2)nc(S(C)(=O)=O)n1.
What is the InChIKey of 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is UUZAPZMPENKQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-19-17-12-15(20-18(21-17)26(4,24)25)13-5-6-16-14(11-13)7-8-23(16)10-9-22(2)3/h5-8,11-12H,9-10H2,1-4H3,(H,19,20,21).
What are the key properties of 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine?
6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 373.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(dimethylamino)ethyl]indol-5-yl]-N-methyl-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 164625155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).