1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine

C13H15BrN4S — CID 107355306

IUPAC1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nccc(-c3cc(Br)cs3)n2)CC1
InChIInChI=1S/C13H15BrN4S/c14-9-7-12(19-8-9)11-1-4-16-13(17-11)18-5-2-10(15)3-6-18/h1,4,7-8,10H,2-3,5-6,15H2
InChIKeyXBOQADWBSAEIGR-UHFFFAOYSA-N
MW339.26 g/mol
LogP2.90
Rot. Bonds2

About 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine

1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 107355306) has the molecular formula C13H15BrN4S and a molecular weight of 339.26 g/mol. Its IUPAC name is 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID107355306
Molecular FormulaC13H15BrN4S
Molecular Weight339.26 g/mol
Exact Mass338.02
IUPAC Name1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nccc(-c3cc(Br)cs3)n2)CC1
InChIInChI=1S/C13H15BrN4S/c14-9-7-12(19-8-9)11-1-4-16-13(17-11)18-5-2-10(15)3-6-18/h1,4,7-8,10H,2-3,5-6,15H2
InChIKeyXBOQADWBSAEIGR-UHFFFAOYSA-N
XLogP2.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine (CID 107355306) is 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine is NC1CCN(c2nccc(-c3cc(Br)cs3)n2)CC1.
What is the InChIKey of 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is XBOQADWBSAEIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4S/c14-9-7-12(19-8-9)11-1-4-16-13(17-11)18-5-2-10(15)3-6-18/h1,4,7-8,10H,2-3,5-6,15H2.
What are the key properties of 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine?
1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 339.26 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 107355306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).