7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one

C12H14BrN3OS — CID 169155375

IUPAC7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(N2CCCCC2)nc2c(Br)csc2c1=O
InChIInChI=1S/C12H14BrN3OS/c1-15-11(17)10-9(8(13)7-18-10)14-12(15)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyYAPZQNCFIPNFRG-UHFFFAOYSA-N
MW328.24 g/mol
LogP2.75
Rot. Bonds1

About 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one

7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one (PubChem CID 169155375) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one
PubChem CID169155375
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one
SMILESCn1c(N2CCCCC2)nc2c(Br)csc2c1=O
InChIInChI=1S/C12H14BrN3OS/c1-15-11(17)10-9(8(13)7-18-10)14-12(15)16-5-3-2-4-6-16/h7H,2-6H2,1H3
InChIKeyYAPZQNCFIPNFRG-UHFFFAOYSA-N
XLogP2.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1-hydroxyethyl)-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one
CID 169154506
8-bromo-3,6-dimethyl-2-piperidin-1-ylquinazolin-4-one
CID 169155300
1-(3-methyl-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl)ethyl methanesulfonate
CID 169155125
2-[1-(3-methyl-4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-7-yl)ethylamino]benzoic acid
CID 169154724
2-[(3R)-3-aminopiperidin-1-yl]-7-bromo-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 163535688
3-methyl-2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-one
CID 171999836
8-bromo-2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethylquinazolin-4-one;ethane
CID 169154783
2-(2-azaspiro[3.5]nonan-2-yl)-8-bromo-3,6-dimethylquinazolin-4-one
CID 170438426
1-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 110278091
8-bromo-3-methyl-2-morpholin-4-yl-4-oxoquinazoline-6-carbaldehyde
CID 170753519
6-methyl-2-piperidin-1-yl-4H-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
CID 95928455
1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
CID 117189298

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one (CID 169155375) is 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one is Cn1c(N2CCCCC2)nc2c(Br)csc2c1=O.
What is the InChIKey of 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is YAPZQNCFIPNFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-15-11(17)10-9(8(13)7-18-10)14-12(15)16-5-3-2-4-6-16/h7H,2-6H2,1H3.
What are the key properties of 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one?
7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 328.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-methyl-2-piperidin-1-ylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 169155375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).