2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one

C12H15N3OS — CID 135496263

IUPAC2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCCCC2)nc2ccsc12
InChIInChI=1S/C12H15N3OS/c16-12-11-9(4-7-17-11)13-10(14-12)8-15-5-2-1-3-6-15/h4,7H,1-3,5-6,8H2,(H,13,14,16)
InChIKeyHKDDBDRPVMDAJB-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.97
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135496263) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135496263
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN2CCCCC2)nc2ccsc12
InChIInChI=1S/C12H15N3OS/c16-12-11-9(4-7-17-11)13-10(14-12)8-15-5-2-1-3-6-15/h4,7H,1-3,5-6,8H2,(H,13,14,16)
InChIKeyHKDDBDRPVMDAJB-UHFFFAOYSA-N
XLogP1.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136811801
2-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 157017465
2-[[(3R)-3-methylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869251
2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135882477
2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869253
2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135625070
2-[(3-methyl-4-oxopiperidin-1-yl)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136997126
2-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136924583
2-[[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136663677
2-[[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135911040
2-[[3-(3,4-difluorophenyl)piperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 167890460
2-[[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136662336

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135496263) is 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]c(CN2CCCCC2)nc2ccsc12.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HKDDBDRPVMDAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c16-12-11-9(4-7-17-11)13-10(14-12)8-15-5-2-1-3-6-15/h4,7H,1-3,5-6,8H2,(H,13,14,16).
What are the key properties of 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 249.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135496263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).