N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C18H19N5OS — CID 56915915

IUPACN-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOC(CNc1nc(-c2ccncc2)nc2c1CNC2)c1cccs1
InChIInChI=1S/C18H19N5OS/c1-24-15(16-3-2-8-25-16)11-21-18-13-9-20-10-14(13)22-17(23-18)12-4-6-19-7-5-12/h2-8,15,20H,9-11H2,1H3,(H,21,22,23)
InChIKeyJIHZLMXFLWTSDO-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.00
Rot. Bonds6

About N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 56915915) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID56915915
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC NameN-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCOC(CNc1nc(-c2ccncc2)nc2c1CNC2)c1cccs1
InChIInChI=1S/C18H19N5OS/c1-24-15(16-3-2-8-25-16)11-21-18-13-9-20-10-14(13)22-17(23-18)12-4-6-19-7-5-12/h2-8,15,20H,9-11H2,1H3,(H,21,22,23)
InChIKeyJIHZLMXFLWTSDO-UHFFFAOYSA-N
XLogP3.00
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-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

2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 95723151
N-[2-(2-methylpropylsulfonyl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56904560
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56908265
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56911501
N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56898791
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56882046
2-phenyl-N-[(2S)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214429
2-phenyl-N-[(2R)-2-pyridin-3-yloxypropyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95214430
(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
2-[(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]acetamide
CID 56870975
2-pyridin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56741082
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 56915915) is N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is COC(CNc1nc(-c2ccncc2)nc2c1CNC2)c1cccs1.
What is the InChIKey of N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JIHZLMXFLWTSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-24-15(16-3-2-8-25-16)11-21-18-13-9-20-10-14(13)22-17(23-18)12-4-6-19-7-5-12/h2-8,15,20H,9-11H2,1H3,(H,21,22,23).
What are the key properties of N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 353.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56915915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).