[2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone

C22H33N5OS — CID 4284174

IUPAC[2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2sc3nc(C)nc(N4CCCCC4C)c3c2C)CC1
InChIInChI=1S/C22H33N5OS/c1-5-9-25-11-13-26(14-12-25)22(28)19-16(3)18-20(23-17(4)24-21(18)29-19)27-10-7-6-8-15(27)2/h15H,5-14H2,1-4H3
InChIKeyVKOZAIWDVVBKGJ-UHFFFAOYSA-N
MW415.61 g/mol
LogP3.85
Rot. Bonds4

About [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone

[2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 4284174) has the molecular formula C22H33N5OS and a molecular weight of 415.61 g/mol. Its IUPAC name is [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID4284174
Molecular FormulaC22H33N5OS
Molecular Weight415.61 g/mol
Exact Mass415.24
IUPAC Name[2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2sc3nc(C)nc(N4CCCCC4C)c3c2C)CC1
InChIInChI=1S/C22H33N5OS/c1-5-9-25-11-13-26(14-12-25)22(28)19-16(3)18-20(23-17(4)24-21(18)29-19)27-10-7-6-8-15(27)2/h15H,5-14H2,1-4H3
InChIKeyVKOZAIWDVVBKGJ-UHFFFAOYSA-N
XLogP3.85
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone 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-cyclohexyl-2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4284171
(4-benzylpiperazin-1-yl)-[5-methyl-4-[(2R)-2-methylpiperidin-1-yl]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 92848582
azepan-1-yl-[5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 6617227
(4-benzylpiperidin-1-yl)-[5-methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
CID 126477024
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 3700092
azepan-1-yl-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43043987
ethyl 4-[4-(2-hydroxypropyl)-2-methylpiperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133498156
2,5-dimethyl-4-(2-methylpiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 4120238
methyl 2,5-dimethyl-4-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133377347
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 6615554
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43056996
1-(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058931

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone (CID 4284174) is [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2sc3nc(C)nc(N4CCCCC4C)c3c2C)CC1.
What is the InChIKey of [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is VKOZAIWDVVBKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5OS/c1-5-9-25-11-13-26(14-12-25)22(28)19-16(3)18-20(23-17(4)24-21(18)29-19)27-10-7-6-8-15(27)2/h15H,5-14H2,1-4H3.
What are the key properties of [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone?
[2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 415.61 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 4284174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).