[1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate

C12H13BrN4O2S — CID 175315779

IUPAC[1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(c2ncnc3c(Br)csc23)CC1
InChIInChI=1S/C12H13BrN4O2S/c13-8-5-20-10-9(8)15-6-16-11(10)17-3-1-7(2-4-17)19-12(14)18/h5-7H,1-4H2,(H2,14,18)
InChIKeyMUISCOMAIMIUEZ-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.52
Rot. Bonds2

About [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate

[1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate (PubChem CID 175315779) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate
PubChem CID175315779
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC Name[1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(c2ncnc3c(Br)csc23)CC1
InChIInChI=1S/C12H13BrN4O2S/c13-8-5-20-10-9(8)15-6-16-11(10)17-3-1-7(2-4-17)19-12(14)18/h5-7H,1-4H2,(H2,14,18)
InChIKeyMUISCOMAIMIUEZ-UHFFFAOYSA-N
XLogP2.52
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate?
The IUPAC name of [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate (CID 175315779) is [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate.
What is the SMILES notation for [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate?
The canonical SMILES for [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate is NC(=O)OC1CCN(c2ncnc3c(Br)csc23)CC1.
What is the InChIKey of [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate?
The InChIKey is MUISCOMAIMIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c13-8-5-20-10-9(8)15-6-16-11(10)17-3-1-7(2-4-17)19-12(14)18/h5-7H,1-4H2,(H2,14,18).
What are the key properties of [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate?
[1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate has a molecular weight of 357.23 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bromothieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl] carbamate is sourced from PubChem (CID 175315779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).