N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

C16H19N5OS — CID 164585263

IUPACN-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCO[C@H]1CC[C@@H](Nc2nc(-c3nccn3C)nc3sccc23)C1
InChIInChI=1S/C16H19N5OS/c1-21-7-6-17-15(21)14-19-13(12-5-8-23-16(12)20-14)18-10-3-4-11(9-10)22-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,19,20)/t10-,11+/m1/s1
InChIKeyKSLDNZCKNZVHKR-MNOVXSKESA-N
MW329.43 g/mol
LogP3.07
Rot. Bonds4

About N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine

N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 164585263) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID164585263
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCO[C@H]1CC[C@@H](Nc2nc(-c3nccn3C)nc3sccc23)C1
InChIInChI=1S/C16H19N5OS/c1-21-7-6-17-15(21)14-19-13(12-5-8-23-16(12)20-14)18-10-3-4-11(9-10)22-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,19,20)/t10-,11+/m1/s1
InChIKeyKSLDNZCKNZVHKR-MNOVXSKESA-N
XLogP3.07
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[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

2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 114118419
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane
CID 164585215
4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide
CID 164585066
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
6-(2-fluoro-3-methoxyphenyl)-N-[(1R,3R)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 164601244
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 163747575
N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 2239015
5-cyclohexa-2,4-dien-1-yl-N-(4-methoxycyclohexyl)-2-(1-methylimidazol-2-yl)-6-(1-methylimidazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585264
N-(3-methoxycyclopentyl)-4-methylpyrimidin-2-amine
CID 103081989
N-(3-methoxycyclobutyl)-5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 169238024
4-N-(1,2-dimethylpiperidin-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329284

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 164585263) is N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is CO[C@H]1CC[C@@H](Nc2nc(-c3nccn3C)nc3sccc23)C1.
What is the InChIKey of N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KSLDNZCKNZVHKR-MNOVXSKESA-N. The full InChI is InChI=1S/C16H19N5OS/c1-21-7-6-17-15(21)14-19-13(12-5-8-23-16(12)20-14)18-10-3-4-11(9-10)22-2/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,19,20)/t10-,11+/m1/s1.
What are the key properties of N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine?
N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 329.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 164585263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).