N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide

C11H17N5O2S — CID 43546324

IUPACN-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide
SMILESCc1c(C)n(CCNS(C)(=O)=O)c2ncnc(N)c12
InChIInChI=1S/C11H17N5O2S/c1-7-8(2)16(5-4-15-19(3,17)18)11-9(7)10(12)13-6-14-11/h6,15H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyWZKXPXVTIMIJBJ-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.18
Rot. Bonds4

About N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide

N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide (PubChem CID 43546324) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide
PubChem CID43546324
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide
SMILESCc1c(C)n(CCNS(C)(=O)=O)c2ncnc(N)c12
InChIInChI=1S/C11H17N5O2S/c1-7-8(2)16(5-4-15-19(3,17)18)11-9(7)10(12)13-6-14-11/h6,15H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyWZKXPXVTIMIJBJ-UHFFFAOYSA-N
XLogP0.18
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-ethoxyethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43591434
5,6-dimethyl-7-(4,4,4-trifluorobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 115521663
5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62314662
7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 64597836
7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337044
7-(2-methoxypropyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 102700019
7-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 82730631
5,6-dimethyl-7-[(3-methyl-4-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 114701586
7-(2-ethylhexyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 107817677
7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54907990
5-amino-1-(2-aminoethyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 163654867
N-[2-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]ethyl]methanesulfonamide
CID 16737712

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide (CID 43546324) is N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide is Cc1c(C)n(CCNS(C)(=O)=O)c2ncnc(N)c12.
What is the InChIKey of N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide?
The InChIKey is WZKXPXVTIMIJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-7-8(2)16(5-4-15-19(3,17)18)11-9(7)10(12)13-6-14-11/h6,15H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide?
N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-5,6-dimethylpyrrolo[2,3-d]pyrimidin-7-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 43546324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).