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

C13H18N4OS — CID 137146583

IUPAC2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)C1CCN(c2nc3ccsc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H18N4OS/c1-16(2)9-3-6-17(7-4-9)13-14-10-5-8-19-11(10)12(18)15-13/h5,8-9H,3-4,6-7H2,1-2H3,(H,14,15,18)
InChIKeyZTZNDLHHHVKDLZ-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.51
Rot. Bonds2

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

2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137146583) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137146583
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCN(C)C1CCN(c2nc3ccsc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H18N4OS/c1-16(2)9-3-6-17(7-4-9)13-14-10-5-8-19-11(10)12(18)15-13/h5,8-9H,3-4,6-7H2,1-2H3,(H,14,15,18)
InChIKeyZTZNDLHHHVKDLZ-UHFFFAOYSA-N
XLogP1.51
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137049005
2-[[methyl(pyrrolidin-3-yl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 137154605
2-[6-(cyclobutylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 167787137
2-[[(3R)-3-methylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869251
2-[(2-cyclopropylpropan-2-ylamino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136870749
1-(4-bromo-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-4-amine
CID 79400008
2-[[4-cyclopropyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 137309514
2-(piperidin-1-ylmethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135496263
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 137287016
2-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135869253
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
2-[4-(dimethylamino)piperidin-1-yl]-1,3-benzothiazol-7-ol
CID 67275756

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one (CID 137146583) is 2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one is CN(C)C1CCN(c2nc3ccsc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZTZNDLHHHVKDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-16(2)9-3-6-17(7-4-9)13-14-10-5-8-19-11(10)12(18)15-13/h5,8-9H,3-4,6-7H2,1-2H3,(H,14,15,18).
What are the key properties of 2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one?
2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 278.38 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)piperidin-1-yl]-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137146583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).