5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one

C13H16N2O2S — CID 39818679

IUPAC5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1csc2ncn(CC3CCOCC3)c(=O)c12
InChIInChI=1S/C13H16N2O2S/c1-9-7-18-12-11(9)13(16)15(8-14-12)6-10-2-4-17-5-3-10/h7-8,10H,2-6H2,1H3
InChIKeyJGPDSBYQLSESDI-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.19
Rot. Bonds2

About 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one

5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 39818679) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID39818679
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1csc2ncn(CC3CCOCC3)c(=O)c12
InChIInChI=1S/C13H16N2O2S/c1-9-7-18-12-11(9)13(16)15(8-14-12)6-10-2-4-17-5-3-10/h7-8,10H,2-6H2,1H3
InChIKeyJGPDSBYQLSESDI-UHFFFAOYSA-N
XLogP2.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(oxan-4-ylmethyl)pyridin-2-one
CID 115634011
5-methyl-3-(3-pyrazol-1-ylpropyl)thieno[2,3-d]pyrimidin-4-one
CID 39834583
6,7,8-trimethoxy-3-(oxan-4-ylmethyl)quinazolin-4-one
CID 171389522
5-iodo-2-methyl-3-(oxan-4-ylmethyl)pyrimidin-4-one
CID 66342259
3-[(2,2-dichlorocyclopropyl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 16619367
3-(cyclobutylmethyl)-5-methylpyrimidin-4-one
CID 126857617
3-(cyclopropylmethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66341337
6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 82147197
3-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941323
5-bromo-6-chloro-3-(oxolan-3-ylmethyl)pyrimidin-4-one
CID 114583574
1-(oxan-4-ylmethyl)pyrazin-2-one
CID 130538359
5-methyl-3-[(5-methyloxolan-2-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 103135274

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one (CID 39818679) is 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one is Cc1csc2ncn(CC3CCOCC3)c(=O)c12.
What is the InChIKey of 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JGPDSBYQLSESDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9-7-18-12-11(9)13(16)15(8-14-12)6-10-2-4-17-5-3-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 264.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39818679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).