2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine

C20H24N4OS2 — CID 26010209

IUPAC2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(C[C@@H]3CCCO3)CC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C20H24N4OS2/c1-14-21-19(18-16(13-27-20(18)22-14)17-5-3-11-26-17)24-8-6-23(7-9-24)12-15-4-2-10-25-15/h3,5,11,13,15H,2,4,6-10,12H2,1H3/t15-/m0/s1
InChIKeyYIIHHAHAMYICJV-HNNXBMFYSA-N
MW400.57 g/mol
LogP4.03
Rot. Bonds4

About 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine

2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 26010209) has the molecular formula C20H24N4OS2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID26010209
Molecular FormulaC20H24N4OS2
Molecular Weight400.57 g/mol
Exact Mass400.14
IUPAC Name2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCN(C[C@@H]3CCCO3)CC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C20H24N4OS2/c1-14-21-19(18-16(13-27-20(18)22-14)17-5-3-11-26-17)24-8-6-23(7-9-24)12-15-4-2-10-25-15/h3,5,11,13,15H,2,4,6-10,12H2,1H3/t15-/m0/s1
InChIKeyYIIHHAHAMYICJV-HNNXBMFYSA-N
XLogP4.03
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine 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-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 9116509
2-[(4-methylpiperidin-1-yl)methyl]-3-[[(2S)-oxan-2-yl]methyl]-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 40799181
2-[(4-methylpiperidin-1-yl)methyl]-3-(oxan-2-ylmethyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
CID 17437421
4-[[4-(4-methylpiperidin-1-yl)-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 25489445
4-piperazin-1-yl-2,5-dithiophen-2-ylthieno[2,3-d]pyrimidine;hydrochloride
CID 118721288
2-[2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40973177
(7S)-2,7-dimethyl-4-[[4-[[(2R)-oxolan-2-yl]methyl]-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 2099466
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9207878
[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 9311243
4-[[(2R)-oxolan-2-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione
CID 2480344
2-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole
CID 2535918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 26010209) is 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine is Cc1nc(N2CCN(C[C@@H]3CCCO3)CC2)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is YIIHHAHAMYICJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4OS2/c1-14-21-19(18-16(13-27-20(18)22-14)17-5-3-11-26-17)24-8-6-23(7-9-24)12-15-4-2-10-25-15/h3,5,11,13,15H,2,4,6-10,12H2,1H3/t15-/m0/s1.
What are the key properties of 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 400.57 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-5-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 26010209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).