6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine

C14H14N4O2S — CID 155903113

IUPAC6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc3[nH]ccc3c2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18)
InChIKeyRTONKOFFKFVXAW-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.07
Rot. Bonds3

About 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine

6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine (PubChem CID 155903113) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine
PubChem CID155903113
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc3[nH]ccc3c2)nc(S(C)(=O)=O)n1
InChIInChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18)
InChIKeyRTONKOFFKFVXAW-UHFFFAOYSA-N
XLogP2.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine (CID 155903113) is 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine is CNc1cc(-c2ccc3[nH]ccc3c2)nc(S(C)(=O)=O)n1.
What is the InChIKey of 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine?
The InChIKey is RTONKOFFKFVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-15-13-8-12(17-14(18-13)21(2,19)20)9-3-4-11-10(7-9)5-6-16-11/h3-8,16H,1-2H3,(H,15,17,18).
What are the key properties of 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine?
6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine has a molecular weight of 302.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-5-yl)-N-methyl-2-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 155903113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).