6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine

C20H27N5O2S — CID 164626145

IUPAC6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine
SMILESCN(C)CCCn1ccc2cc(-c3cc(N(C)C)nc(S(C)(=O)=O)n3)ccc21
InChIInChI=1S/C20H27N5O2S/c1-23(2)10-6-11-25-12-9-16-13-15(7-8-18(16)25)17-14-19(24(3)4)22-20(21-17)28(5,26)27/h7-9,12-14H,6,10-11H2,1-5H3
InChIKeyIKKXGWXGSUOKFD-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.52
Rot. Bonds7

About 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine

6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine (PubChem CID 164626145) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine
PubChem CID164626145
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC Name6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine
SMILESCN(C)CCCn1ccc2cc(-c3cc(N(C)C)nc(S(C)(=O)=O)n3)ccc21
InChIInChI=1S/C20H27N5O2S/c1-23(2)10-6-11-25-12-9-16-13-15(7-8-18(16)25)17-14-19(24(3)4)22-20(21-17)28(5,26)27/h7-9,12-14H,6,10-11H2,1-5H3
InChIKeyIKKXGWXGSUOKFD-UHFFFAOYSA-N
XLogP2.52
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine (CID 164626145) is 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine is CN(C)CCCn1ccc2cc(-c3cc(N(C)C)nc(S(C)(=O)=O)n3)ccc21.
What is the InChIKey of 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is IKKXGWXGSUOKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-23(2)10-6-11-25-12-9-16-13-15(7-8-18(16)25)17-14-19(24(3)4)22-20(21-17)28(5,26)27/h7-9,12-14H,6,10-11H2,1-5H3.
What are the key properties of 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine?
6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 401.54 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(dimethylamino)propyl]indol-5-yl]-N,N-dimethyl-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 164626145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).