7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one

C21H25N3OS — CID 39796713

IUPAC7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(C[C@H]3CCCN(CCc4ccccc4)C3)cnc12
InChIInChI=1S/C21H25N3OS/c1-16-14-26-20-19(16)22-15-24(21(20)25)13-18-8-5-10-23(12-18)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3/t18-/m0/s1
InChIKeyYNHVTVGIMNWMIZ-SFHVURJKSA-N
MW367.52 g/mol
LogP3.72
Rot. Bonds5

About 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one

7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 39796713) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID39796713
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(C[C@H]3CCCN(CCc4ccccc4)C3)cnc12
InChIInChI=1S/C21H25N3OS/c1-16-14-26-20-19(16)22-15-24(21(20)25)13-18-8-5-10-23(12-18)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3/t18-/m0/s1
InChIKeyYNHVTVGIMNWMIZ-SFHVURJKSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39826176
4-methyl-2-oxo-1-[[1-(2-phenylethyl)piperidin-3-yl]methyl]pyridine-3-carboxylic acid
CID 170511886
1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide
CID 45202620
7-methyl-3-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
CID 102685622
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685698
2-methyl-3-[4-[[1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-1-yl]quinoxaline
CID 72577401
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
[1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 6484148
3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]quinazolin-4-one
CID 139023691
3-[[1-(bromomethyl)cyclobutyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685348
3-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-1H-benzimidazol-2-one
CID 12972134
3-[[1-(bromomethyl)cyclopropyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685324

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one (CID 39796713) is 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(C[C@H]3CCCN(CCc4ccccc4)C3)cnc12.
What is the InChIKey of 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YNHVTVGIMNWMIZ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-16-14-26-20-19(16)22-15-24(21(20)25)13-18-8-5-10-23(12-18)11-9-17-6-3-2-4-7-17/h2-4,6-7,14-15,18H,5,8-13H2,1H3/t18-/m0/s1.
What are the key properties of 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one?
7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 367.52 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 39796713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).