3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one

C15H21N3O2S — CID 39826176

IUPAC3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCN3CCC[C@@H](CO)C3)cnc12
InChIInChI=1S/C15H21N3O2S/c1-11-9-21-14-13(11)16-10-18(15(14)20)6-5-17-4-2-3-12(7-17)8-19/h9-10,12,19H,2-8H2,1H3/t12-/m1/s1
InChIKeyCENIBYKOVXGTAQ-GFCCVEGCSA-N
MW307.42 g/mol
LogP1.47
Rot. Bonds4

About 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one

3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 39826176) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID39826176
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCc1csc2c(=O)n(CCN3CCC[C@@H](CO)C3)cnc12
InChIInChI=1S/C15H21N3O2S/c1-11-9-21-14-13(11)16-10-18(15(14)20)6-5-17-4-2-3-12(7-17)8-19/h9-10,12,19H,2-8H2,1H3/t12-/m1/s1
InChIKeyCENIBYKOVXGTAQ-GFCCVEGCSA-N
XLogP1.47
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 111750060
7-methyl-3-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 39796713
1-[3-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)propyl]piperidine-3-carboxamide
CID 45202620
7-methyl-3-[2-[(3-methylcyclohexyl)amino]ethyl]thieno[3,2-d]pyrimidin-4-one
CID 102685572
7-methyl-3-(3-methylbut-3-enyl)thieno[3,2-d]pyrimidin-4-one
CID 102685683
3-(4-chlorobutyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685321
3-heptyl-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685714
3-(3-hydroxy-2,2-dimethylpropyl)-7-methylthieno[3,2-d]pyrimidin-4-one
CID 39796651
N-cyclopropyl-N-methyl-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 102685631
N-(4-methylcyclohexyl)-2-(7-methyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 146130124
7-methyl-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 102685602
3-[2-(4-fluoroanilino)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one
CID 102685564

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one (CID 39826176) is 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one is Cc1csc2c(=O)n(CCN3CCC[C@@H](CO)C3)cnc12.
What is the InChIKey of 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is CENIBYKOVXGTAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-9-21-14-13(11)16-10-18(15(14)20)6-5-17-4-2-3-12(7-17)8-19/h9-10,12,19H,2-8H2,1H3/t12-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one?
3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 307.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-7-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 39826176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).