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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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
1-Methyl-4-{2-methyl-6-phenylthieno[2,3-D]pyrimidin-4-YL}piperazine
CID 2086721
2-[Benzyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 2453882
2-Methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
CID 2461526
1-(2-Methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 2464730
N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2524595
2-[(6-Phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 2556904
2-[[4-(ethylamino)-7-methyl-6,8-dihydro-5H-pyrido[4,5]thieno[1,2-c]pyrimidin-2-yl]sulfanyl]acetamide
CID 2817154
N-benzyl-6-methylthieno[2,3-d]pyrimidin-4-amine hydrochloride
CID 2972450

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).