6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one

C13H17N3OS — CID 82147197

IUPAC6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC3CCNCC3)cnc2s1
InChIInChI=1S/C13H17N3OS/c1-9-6-11-12(18-9)15-8-16(13(11)17)7-10-2-4-14-5-3-10/h6,8,10,14H,2-5,7H2,1H3
InChIKeyUKDRXYMKKCKIQA-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.77
Rot. Bonds2

About 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one

6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 82147197) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID82147197
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCc1cc2c(=O)n(CC3CCNCC3)cnc2s1
InChIInChI=1S/C13H17N3OS/c1-9-6-11-12(18-9)15-8-16(13(11)17)7-10-2-4-14-5-3-10/h6,8,10,14H,2-5,7H2,1H3
InChIKeyUKDRXYMKKCKIQA-UHFFFAOYSA-N
XLogP1.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 144895692
3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39760848
3-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 166301450
3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715237
3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715236
3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118286876
1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 82033808
[(1S,3S)-3-methylcyclohexyl] 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7747432
3-(5,8-dioxaspiro[3.5]nonan-2-ylmethyl)-6-ethylthieno[2,3-d]pyrimidin-4-one
CID 167778992
3-(cyclopropylmethyl)-5-iodo-6-methylpyrimidin-4-one
CID 66341337
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39826511

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one (CID 82147197) is 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one is Cc1cc2c(=O)n(CC3CCNCC3)cnc2s1.
What is the InChIKey of 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is UKDRXYMKKCKIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9-6-11-12(18-9)15-8-16(13(11)17)7-10-2-4-14-5-3-10/h6,8,10,14H,2-5,7H2,1H3.
What are the key properties of 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one?
6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 263.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82147197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).