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

C19H23N5OS — CID 139502664

IUPACN-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1cc(SCC2CC(N(C)c3ncnc4[nH]ccc34)C2)ccn1
InChIInChI=1S/C19H23N5OS/c1-3-25-17-10-15(4-6-20-17)26-11-13-8-14(9-13)24(2)19-16-5-7-21-18(16)22-12-23-19/h4-7,10,12-14H,3,8-9,11H2,1-2H3,(H,21,22,23)
InChIKeyLJQXZHJLPCXFIY-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.76
Rot. Bonds7

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

N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139502664) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139502664
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1cc(SCC2CC(N(C)c3ncnc4[nH]ccc34)C2)ccn1
InChIInChI=1S/C19H23N5OS/c1-3-25-17-10-15(4-6-20-17)26-11-13-8-14(9-13)24(2)19-16-5-7-21-18(16)22-12-23-19/h4-7,10,12-14H,3,8-9,11H2,1-2H3,(H,21,22,23)
InChIKeyLJQXZHJLPCXFIY-UHFFFAOYSA-N
XLogP3.76
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(6-methoxy-3-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 139502821
N-methyl-N-[3-[(2-pyrrolidin-1-ylpyrimidin-5-yl)sulfanylmethyl]cyclobutyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 139502658
1-N-methyl-1-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)cyclobutane-1,3-diamine;phosphoric acid
CID 166437336
N-butyl-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118868847
N-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 160618729
N-(2-methoxyethyl)-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118869013
N-cyclobutyl-N-methyl-1-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide
CID 118868782
cyclopropyl-[3-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methylsulfanyl]azetidin-1-yl]methanone
CID 139502441
N-[[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methyl]cyclopropanesulfonamide
CID 118868734
N-[3-(3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfanylmethyl)cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 139502492
N-methyl-N-(4-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22484511
N-(1-ethylsulfonylpyrrolidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 134537153

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 139502664) is N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCOc1cc(SCC2CC(N(C)c3ncnc4[nH]ccc34)C2)ccn1.
What is the InChIKey of N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LJQXZHJLPCXFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-3-25-17-10-15(4-6-20-17)26-11-13-8-14(9-13)24(2)19-16-5-7-21-18(16)22-12-23-19/h4-7,10,12-14H,3,8-9,11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 369.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethoxy-4-pyridinyl)sulfanylmethyl]cyclobutyl]-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139502664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).