3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

C17H18N4OS — CID 46989209

IUPAC3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCc1nc(N(CCC(N)=O)Cc2ccccc2)c2ccsc2n1
InChIInChI=1S/C17H18N4OS/c1-12-19-16(14-8-10-23-17(14)20-12)21(9-7-15(18)22)11-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11H2,1H3,(H2,18,22)
InChIKeyOQVDVUOESWRQGZ-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.88
Rot. Bonds6

About 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (PubChem CID 46989209) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
PubChem CID46989209
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
SMILESCc1nc(N(CCC(N)=O)Cc2ccccc2)c2ccsc2n1
InChIInChI=1S/C17H18N4OS/c1-12-19-16(14-8-10-23-17(14)20-12)21(9-7-15(18)22)11-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11H2,1H3,(H2,18,22)
InChIKeyOQVDVUOESWRQGZ-UHFFFAOYSA-N
XLogP2.88
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The IUPAC name of 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide (CID 46989209) is 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is Cc1nc(N(CCC(N)=O)Cc2ccccc2)c2ccsc2n1.
What is the InChIKey of 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
The InChIKey is OQVDVUOESWRQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-12-19-16(14-8-10-23-17(14)20-12)21(9-7-15(18)22)11-13-5-3-2-4-6-13/h2-6,8,10H,7,9,11H2,1H3,(H2,18,22).
What are the key properties of 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide?
3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide has a molecular weight of 326.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 46989209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).