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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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).