N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H19N5O2S — CID 118868749

IUPACN-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CC(CS(=O)(=O)c2ccncc2)C1
InChIInChI=1S/C17H19N5O2S/c1-22(17-15-4-7-19-16(15)20-11-21-17)13-8-12(9-13)10-25(23,24)14-2-5-18-6-3-14/h2-7,11-13H,8-10H2,1H3,(H,19,20,21)
InChIKeyCHUJALYWQZENTG-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.04
Rot. Bonds5

About N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118868749) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118868749
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2[nH]ccc12)C1CC(CS(=O)(=O)c2ccncc2)C1
InChIInChI=1S/C17H19N5O2S/c1-22(17-15-4-7-19-16(15)20-11-21-17)13-8-12(9-13)10-25(23,24)14-2-5-18-6-3-14/h2-7,11-13H,8-10H2,1H3,(H,19,20,21)
InChIKeyCHUJALYWQZENTG-UHFFFAOYSA-N
XLogP2.04
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 118868749) is N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2[nH]ccc12)C1CC(CS(=O)(=O)c2ccncc2)C1.
What is the InChIKey of N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is CHUJALYWQZENTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-22(17-15-4-7-19-16(15)20-11-21-17)13-8-12(9-13)10-25(23,24)14-2-5-18-6-3-14/h2-7,11-13H,8-10H2,1H3,(H,19,20,21).
What are the key properties of N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 357.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(pyridin-4-ylsulfonylmethyl)cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118868749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).