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

C18H21N5O2S — CID 118868787

IUPACN-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccncc1S(=O)(=O)CC1CC(N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C18H21N5O2S/c1-12-3-5-19-9-16(12)26(24,25)10-13-7-14(8-13)23(2)18-15-4-6-20-17(15)21-11-22-18/h3-6,9,11,13-14H,7-8,10H2,1-2H3,(H,20,21,22)
InChIKeyLWEXBVKOJGMKLH-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.35
Rot. Bonds5

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

N-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118868787) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118868787
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccncc1S(=O)(=O)CC1CC(N(C)c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C18H21N5O2S/c1-12-3-5-19-9-16(12)26(24,25)10-13-7-14(8-13)23(2)18-15-4-6-20-17(15)21-11-22-18/h3-6,9,11,13-14H,7-8,10H2,1-2H3,(H,20,21,22)
InChIKeyLWEXBVKOJGMKLH-UHFFFAOYSA-N
XLogP2.35
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.35
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-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 118868787) is N-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccncc1S(=O)(=O)CC1CC(N(C)c2ncnc3[nH]ccc23)C1.
What is the InChIKey of N-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LWEXBVKOJGMKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-3-5-19-9-16(12)26(24,25)10-13-7-14(8-13)23(2)18-15-4-6-20-17(15)21-11-22-18/h3-6,9,11,13-14H,7-8,10H2,1-2H3,(H,20,21,22).
What are the key properties of N-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-[3-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 371.47 g/mol, XLogP of 2.35, 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-[(4-methyl-3-pyridinyl)sulfonylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118868787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).