N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H21N5O2S — CID 134537067

IUPACN-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)N1CC[C@@H](N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H21N5O2S/c1-10(2)22(20,21)19-7-5-11(8-19)18(3)14-12-4-6-15-13(12)16-9-17-14/h4,6,9-11H,5,7-8H2,1-3H3,(H,15,16,17)/t11-/m1/s1
InChIKeyMNQSOOKWQBQJNY-LLVKDONJSA-N
MW323.42 g/mol
LogP1.21
Rot. Bonds4

About N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134537067) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134537067
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC NameN-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)N1CC[C@@H](N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C14H21N5O2S/c1-10(2)22(20,21)19-7-5-11(8-19)18(3)14-12-4-6-15-13(12)16-9-17-14/h4,6,9-11H,5,7-8H2,1-3H3,(H,15,16,17)/t11-/m1/s1
InChIKeyMNQSOOKWQBQJNY-LLVKDONJSA-N
XLogP1.21
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cis-3-(Methyl(7H-pyrrolo(2,3-d)pyrimidin-4-yl)amino)cyclobutyl)-1-propanesulfonamide
CID 78323835
Oclacitinib
CID 44631938
6-Pyrrolidino-7-deazapurine
CID 4428602
N-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 122199230
4-(Pyrrolidin-1-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-2-Amine
CID 71138081
4-(2,5-dimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 9815801
N-cyclohexyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12083227
N-cyclopentyl-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 12083230
1-(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-piperidin-1-yl)-2-(methylsulfonyl)ethanone
CID 22282953
3-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrrolidine
CID 67250742
2-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}pyrrolidine
CID 67251949
2-cyano-N-methyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 76416937

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 134537067) is N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(C)S(=O)(=O)N1CC[C@@H](N(C)c2ncnc3[nH]ccc23)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is MNQSOOKWQBQJNY-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10(2)22(20,21)19-7-5-11(8-19)18(3)14-12-4-6-15-13(12)16-9-17-14/h4,6,9-11H,5,7-8H2,1-3H3,(H,15,16,17)/t11-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 323.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-propan-2-ylsulfonylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134537067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).