N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

C17H25N5OS — CID 39082261

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCc1cc2c(NCCC(=O)N(C)C3CCN(C)CC3)ncnc2s1
InChIInChI=1S/C17H25N5OS/c1-12-10-14-16(19-11-20-17(14)24-12)18-7-4-15(23)22(3)13-5-8-21(2)9-6-13/h10-11,13H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyUBGRRPIXYXCEJN-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.35
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 39082261) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
PubChem CID39082261
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCc1cc2c(NCCC(=O)N(C)C3CCN(C)CC3)ncnc2s1
InChIInChI=1S/C17H25N5OS/c1-12-10-14-16(19-11-20-17(14)24-12)18-7-4-15(23)22(3)13-5-8-21(2)9-6-13/h10-11,13H,4-9H2,1-3H3,(H,18,19,20)
InChIKeyUBGRRPIXYXCEJN-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (CID 39082261) is N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is Cc1cc2c(NCCC(=O)N(C)C3CCN(C)CC3)ncnc2s1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is UBGRRPIXYXCEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12-10-14-16(19-11-20-17(14)24-12)18-7-4-15(23)22(3)13-5-8-21(2)9-6-13/h10-11,13H,4-9H2,1-3H3,(H,18,19,20).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 347.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 39082261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).